N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C23H30N4O2 — CID 69188742

IUPACN-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(N2CCC(CO)CC2)nc1)C1CCCC1
InChIInChI=1S/C23H30N4O2/c28-17-18-9-12-26(13-10-18)22-8-7-19(14-25-22)16-27(21-5-1-2-6-21)23(29)20-4-3-11-24-15-20/h3-4,7-8,11,14-15,18,21,28H,1-2,5-6,9-10,12-13,16-17H2
InChIKeyASNSZOPSTKRENV-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.27
Rot. Bonds6

About N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 69188742) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID69188742
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(N2CCC(CO)CC2)nc1)C1CCCC1
InChIInChI=1S/C23H30N4O2/c28-17-18-9-12-26(13-10-18)22-8-7-19(14-25-22)16-27(21-5-1-2-6-21)23(29)20-4-3-11-24-15-20/h3-4,7-8,11,14-15,18,21,28H,1-2,5-6,9-10,12-13,16-17H2
InChIKeyASNSZOPSTKRENV-UHFFFAOYSA-N
XLogP3.27
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 69188638
N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
CID 26363492
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 77095410
[1-(5-amino-2-pyridinyl)piperidin-4-yl]methanol
CID 43133155
4-[[acetyl(cyclopentyl)amino]methyl]-N-methyl-N-pyridin-3-ylbenzamide
CID 59607069

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 69188742) is N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1ccc(N2CCC(CO)CC2)nc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is ASNSZOPSTKRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-17-18-9-12-26(13-10-18)22-8-7-19(14-25-22)16-27(21-5-1-2-6-21)23(29)20-4-3-11-24-15-20/h3-4,7-8,11,14-15,18,21,28H,1-2,5-6,9-10,12-13,16-17H2.
What are the key properties of N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 69188742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).