2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

C13H18N4O2 — CID 112530809

IUPAC2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)NC2CCNC2)ccn1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-8-12-6-10(2-5-15-12)13(19)17-11-3-4-14-7-11/h2,5-6,11,14H,3-4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHFQUQVNPQPEVIB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.19
Rot. Bonds4

About 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide

2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 112530809) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID112530809
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)NC2CCNC2)ccn1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-8-12-6-10(2-5-15-12)13(19)17-11-3-4-14-7-11/h2,5-6,11,14H,3-4,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyHFQUQVNPQPEVIB-UHFFFAOYSA-N
XLogP-0.19
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methanesulfonamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530815
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 112530809) is 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)NC2CCNC2)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is HFQUQVNPQPEVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)16-8-12-6-10(2-5-15-12)13(19)17-11-3-4-14-7-11/h2,5-6,11,14H,3-4,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide?
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 112530809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).