N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C63H76N10O6 — CID 157201367

IUPACN-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESC.C.COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2Cc1cccnc1.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1
InChIInChI=1S/C31H35N5O3.C30H33N5O3.2CH4/c1-39-24-9-10-25-22(18-24)8-11-27(26(25)17-21-5-4-14-32-19-21)33-30(37)20-35-15-12-23(13-16-35)36-29-7-3-2-6-28(29)34-31(36)38;36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h2-7,9-10,14,18-19,23,26-27H,8,11-13,15-17,20H2,1H3,(H,33,37)(H,34,38);1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H4
InChIKeyAQVJFJPWMDKSPF-UHFFFAOYSA-N
MW1069.36 g/mol
LogP8.62
Rot. Bonds13

About N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 157201367) has the molecular formula C63H76N10O6 and a molecular weight of 1069.36 g/mol. Its IUPAC name is N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID157201367
Molecular FormulaC63H76N10O6
Molecular Weight1069.36 g/mol
Exact Mass1068.59
IUPAC NameN-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESC.C.COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2Cc1cccnc1.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1
InChIInChI=1S/C31H35N5O3.C30H33N5O3.2CH4/c1-39-24-9-10-25-22(18-24)8-11-27(26(25)17-21-5-4-14-32-19-21)33-30(37)20-35-15-12-23(13-16-35)36-29-7-3-2-6-28(29)34-31(36)38;36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h2-7,9-10,14,18-19,23,26-27H,8,11-13,15-17,20H2,1H3,(H,33,37)(H,34,38);1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H4
InChIKeyAQVJFJPWMDKSPF-UHFFFAOYSA-N
XLogP8.62
TPSA195.50 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 58.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 157201367) is N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is C.C.COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(=O)[nH]c4ccccc43)CC1)C2Cc1cccnc1.O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1.
What is the InChIKey of N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is AQVJFJPWMDKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3.C30H33N5O3.2CH4/c1-39-24-9-10-25-22(18-24)8-11-27(26(25)17-21-5-4-14-32-19-21)33-30(37)20-35-15-12-23(13-16-35)36-29-7-3-2-6-28(29)34-31(36)38;36-23-8-9-24-21(17-23)7-10-26(25(24)16-20-4-3-13-31-18-20)32-29(37)19-34-14-11-22(12-15-34)35-28-6-2-1-5-27(28)33-30(35)38;;/h2-7,9-10,14,18-19,23,26-27H,8,11-13,15-17,20H2,1H3,(H,33,37)(H,34,38);1-6,8-9,13,17-18,22,25-26,36H,7,10-12,14-16,19H2,(H,32,37)(H,33,38);2*1H4.
What are the key properties of N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 1069.36 g/mol, XLogP of 8.62, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide;methane;N-[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 157201367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).