2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide

C13H19N3O — CID 81410580

IUPAC2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCCN1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-8-14-9-5-11)16-12(17)13(2)6-3-7-15-13/h4-5,8-10,15H,3,6-7H2,1-2H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMOOORYNCFNYIHM-NKUHCKNESA-N
MW233.31 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide

2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 81410580) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
PubChem CID81410580
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCCN1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-10(11-4-8-14-9-5-11)16-12(17)13(2)6-3-7-15-13/h4-5,8-10,15H,3,6-7H2,1-2H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMOOORYNCFNYIHM-NKUHCKNESA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide (CID 81410580) is 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)C1(C)CCCN1)c1ccncc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is MOOORYNCFNYIHM-NKUHCKNESA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-4-8-14-9-5-11)16-12(17)13(2)6-3-7-15-13/h4-5,8-10,15H,3,6-7H2,1-2H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide?
2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 81410580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).