3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide

C26H30N6O2 — CID 155989816

IUPAC3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)NCC3(O)CCN(c4ccnc5ccncc45)CC3)[nH]c2c1
InChIInChI=1S/C26H30N6O2/c1-17-13-18(2)25-21(14-17)30-23(31-25)3-4-24(33)29-16-26(34)7-11-32(12-8-26)22-6-10-28-20-5-9-27-15-19(20)22/h5-6,9-10,13-15,34H,3-4,7-8,11-12,16H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyMWJHREYNRCQMAK-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.20
Rot. Bonds6

About 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide

3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide (PubChem CID 155989816) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
PubChem CID155989816
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
SMILESCc1cc(C)c2nc(CCC(=O)NCC3(O)CCN(c4ccnc5ccncc45)CC3)[nH]c2c1
InChIInChI=1S/C26H30N6O2/c1-17-13-18(2)25-21(14-17)30-23(31-25)3-4-24(33)29-16-26(34)7-11-32(12-8-26)22-6-10-28-20-5-9-27-15-19(20)22/h5-6,9-10,13-15,34H,3-4,7-8,11-12,16H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyMWJHREYNRCQMAK-UHFFFAOYSA-N
XLogP3.20
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide (CID 155989816) is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide is Cc1cc(C)c2nc(CCC(=O)NCC3(O)CCN(c4ccnc5ccncc45)CC3)[nH]c2c1.
What is the InChIKey of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide?
The InChIKey is MWJHREYNRCQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-17-13-18(2)25-21(14-17)30-23(31-25)3-4-24(33)29-16-26(34)7-11-32(12-8-26)22-6-10-28-20-5-9-27-15-19(20)22/h5-6,9-10,13-15,34H,3-4,7-8,11-12,16H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide?
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide has a molecular weight of 458.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 155989816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).