2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide

C12H18N4O — CID 113285409

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCNCC1CCCN1c1cc(C(N)=O)ccn1
InChIInChI=1S/C12H18N4O/c1-14-8-10-3-2-6-16(10)11-7-9(12(13)17)4-5-15-11/h4-5,7,10,14H,2-3,6,8H2,1H3,(H2,13,17)
InChIKeyWECIBZSUUAYQEL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.37
Rot. Bonds4

About 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide

2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide (PubChem CID 113285409) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
PubChem CID113285409
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCNCC1CCCN1c1cc(C(N)=O)ccn1
InChIInChI=1S/C12H18N4O/c1-14-8-10-3-2-6-16(10)11-7-9(12(13)17)4-5-15-11/h4-5,7,10,14H,2-3,6,8H2,1H3,(H2,13,17)
InChIKeyWECIBZSUUAYQEL-UHFFFAOYSA-N
XLogP0.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]pyridine-4-carboxamide
CID 80506496
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
methyl 1-(4-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473975
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 114869612
4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 115316995
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 115316307
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813140
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115317036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide (CID 113285409) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide is CNCC1CCCN1c1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is WECIBZSUUAYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-8-10-3-2-6-16(10)11-7-9(12(13)17)4-5-15-11/h4-5,7,10,14H,2-3,6,8H2,1H3,(H2,13,17).
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 113285409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).