N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C23H25N5O — CID 24732544

IUPACN-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1cccnc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(21-4-2-10-26-16-21)28(18-20-3-1-9-25-15-20)22-7-13-27(14-8-22)17-19-5-11-24-12-6-19/h1-6,9-12,15-16,22H,7-8,13-14,17-18H2
InChIKeyZIKPQLPUQBQJOX-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.18
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 24732544) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID24732544
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1cccnc1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(21-4-2-10-26-16-21)28(18-20-3-1-9-25-15-20)22-7-13-27(14-8-22)17-19-5-11-24-12-6-19/h1-6,9-12,15-16,22H,7-8,13-14,17-18H2
InChIKeyZIKPQLPUQBQJOX-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
methyl 4-[[4-[propan-2-ylcarbamoyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 24732251
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
N-[[4-[benzyl(methyl)amino]phenyl]methyl]-4-pentyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzamide
CID 11238520
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24732579
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69188742
N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 24732544) is N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1cccnc1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is ZIKPQLPUQBQJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(21-4-2-10-26-16-21)28(18-20-3-1-9-25-15-20)22-7-13-27(14-8-22)17-19-5-11-24-12-6-19/h1-6,9-12,15-16,22H,7-8,13-14,17-18H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24732544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).