2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide

C18H22N4O — CID 110451976

IUPAC2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c19-17-16(7-4-10-20-17)18(23)21-15-8-11-22(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H2,19,20)(H,21,23)
InChIKeyLLQUXNOBXXOGGU-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide

2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 110451976) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID110451976
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c19-17-16(7-4-10-20-17)18(23)21-15-8-11-22(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H2,19,20)(H,21,23)
InChIKeyLLQUXNOBXXOGGU-UHFFFAOYSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
methyl 2-[2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]sulfanylpropanoate
CID 55870843
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide (CID 110451976) is 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide is Nc1ncccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is LLQUXNOBXXOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-17-16(7-4-10-20-17)18(23)21-15-8-11-22(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H2,19,20)(H,21,23).
What are the key properties of 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide?
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110451976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).