2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide

C14H20N4O2 — CID 72916320

IUPAC2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESCC(=O)NCC1CCN(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-9-11-3-6-18(7-4-11)13-8-12(14(15)20)2-5-16-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H2,15,20)(H,17,19)
InChIKeyWLHPWIQXKFRHJX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.53
Rot. Bonds4

About 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide

2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 72916320) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID72916320
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESCC(=O)NCC1CCN(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-10(19)17-9-11-3-6-18(7-4-11)13-8-12(14(15)20)2-5-16-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H2,15,20)(H,17,19)
InChIKeyWLHPWIQXKFRHJX-UHFFFAOYSA-N
XLogP0.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 67083707
2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
CID 113285409
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide (CID 72916320) is 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide is CC(=O)NCC1CCN(c2cc(C(N)=O)ccn2)CC1.
What is the InChIKey of 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is WLHPWIQXKFRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(19)17-9-11-3-6-18(7-4-11)13-8-12(14(15)20)2-5-16-13/h2,5,8,11H,3-4,6-7,9H2,1H3,(H2,15,20)(H,17,19).
What are the key properties of 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide?
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72916320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).