N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

C23H29N3O2 — CID 122558965

IUPACN-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1
InChIInChI=1S/C23H29N3O2/c27-21-10-8-20(9-11-21)25-23(28)19-6-4-18(5-7-19)22-12-3-17(15-24-22)16-26-13-1-2-14-26/h3-7,12,15,20-21,27H,1-2,8-11,13-14,16H2,(H,25,28)
InChIKeyUXJFXTZZJRWOEC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.38
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (PubChem CID 122558965) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
PubChem CID122558965
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1
InChIInChI=1S/C23H29N3O2/c27-21-10-8-20(9-11-21)25-23(28)19-6-4-18(5-7-19)22-12-3-17(15-24-22)16-26-13-1-2-14-26/h3-7,12,15,20-21,27H,1-2,8-11,13-14,16H2,(H,25,28)
InChIKeyUXJFXTZZJRWOEC-UHFFFAOYSA-N
XLogP3.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
6-(3-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268004
6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
6-(3-fluorophenyl)-N-[1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268324
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268736
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (CID 122558965) is N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is O=C(NC1CCC(O)CC1)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The InChIKey is UXJFXTZZJRWOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-10-8-20(9-11-21)25-23(28)19-6-4-18(5-7-19)22-12-3-17(15-24-22)16-26-13-1-2-14-26/h3-7,12,15,20-21,27H,1-2,8-11,13-14,16H2,(H,25,28).
What are the key properties of N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 122558965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).