6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide

C13H18N4O2 — CID 173075471

IUPAC6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCC(=O)N(C)C1CCN(c2cccc(C(N)=O)n2)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)16(2)10-6-7-17(8-10)12-5-3-4-11(15-12)13(14)19/h3-5,10H,6-8H2,1-2H3,(H2,14,19)
InChIKeySRSPIHNKOLNGDP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.24
Rot. Bonds3

About 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide

6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 173075471) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID173075471
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCC(=O)N(C)C1CCN(c2cccc(C(N)=O)n2)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)16(2)10-6-7-17(8-10)12-5-3-4-11(15-12)13(14)19/h3-5,10H,6-8H2,1-2H3,(H2,14,19)
InChIKeySRSPIHNKOLNGDP-UHFFFAOYSA-N
XLogP0.24
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
1-[6-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168924
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
CID 66197754
1-(6-carbamoyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742498
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919

Frequently Asked Questions

What is the IUPAC name of 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide (CID 173075471) is 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide is CC(=O)N(C)C1CCN(c2cccc(C(N)=O)n2)C1.
What is the InChIKey of 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is SRSPIHNKOLNGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)16(2)10-6-7-17(8-10)12-5-3-4-11(15-12)13(14)19/h3-5,10H,6-8H2,1-2H3,(H2,14,19).
What are the key properties of 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide?
6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 173075471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).