(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 63327750

IUPAC(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c1-8-4-6-12-7-10(8)14-11(15)9-3-2-5-13-9/h4,6-7,9,13H,2-3,5H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyNXKKAXBWDNXTGR-VIFPVBQESA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds2

About (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 63327750) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID63327750
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c1-8-4-6-12-7-10(8)14-11(15)9-3-2-5-13-9/h4,6-7,9,13H,2-3,5H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyNXKKAXBWDNXTGR-VIFPVBQESA-N
XLogP1.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43701315
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide (CID 63327750) is (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide is Cc1ccncc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is NXKKAXBWDNXTGR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-6-12-7-10(8)14-11(15)9-3-2-5-13-9/h4,6-7,9,13H,2-3,5H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63327750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).