(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide

C17H20N4O — CID 128977351

IUPAC(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C17H20N4O/c1-12-6-8-18-9-15(12)20-17(22)14-11-21(10-13(14)2)16-5-3-4-7-19-16/h3-9,13-14H,10-11H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCPTHLXPLHSUCBE-ZIAGYGMSSA-N
MW296.37 g/mol
LogP2.50
Rot. Bonds3

About (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 128977351) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID128977351
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccncc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C
InChIInChI=1S/C17H20N4O/c1-12-6-8-18-9-15(12)20-17(22)14-11-21(10-13(14)2)16-5-3-4-7-19-16/h3-9,13-14H,10-11H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCPTHLXPLHSUCBE-ZIAGYGMSSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone
CID 167893739
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 167792405
(3S,4S)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128984281
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
CID 128987415
3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 154866117
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 128977351) is (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide is Cc1ccncc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C.
What is the InChIKey of (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CPTHLXPLHSUCBE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-8-18-9-15(12)20-17(22)14-11-21(10-13(14)2)16-5-3-4-7-19-16/h3-9,13-14H,10-11H2,1-2H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128977351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).