4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

C24H29N7O2 — CID 139360947

IUPAC4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@](C)(N)C3)ccn2)c1
InChIInChI=1S/C24H29N7O2/c1-16(11-21-29-27-15-30(21)3)17-5-4-6-19(12-17)28-22(32)20-13-18(7-9-26-20)23(33)31-10-8-24(2,25)14-31/h4-7,9,12-13,15-16H,8,10-11,14,25H2,1-3H3,(H,28,32)/t16-,24+/m1/s1
InChIKeyUOKWFEOWLDFDOO-GYCJOSAFSA-N
MW447.54 g/mol
LogP2.37
Rot. Bonds6

About 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139360947) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139360947
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@](C)(N)C3)ccn2)c1
InChIInChI=1S/C24H29N7O2/c1-16(11-21-29-27-15-30(21)3)17-5-4-6-19(12-17)28-22(32)20-13-18(7-9-26-20)23(33)31-10-8-24(2,25)14-31/h4-7,9,12-13,15-16H,8,10-11,14,25H2,1-3H3,(H,28,32)/t16-,24+/m1/s1
InChIKeyUOKWFEOWLDFDOO-GYCJOSAFSA-N
XLogP2.37
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
Takeda103A
CID 11155477
GS-444217
CID 57504987
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-(dimethylamino)-4-(methylaminomethyl)-3H-isoindol-1-one
CID 157038858
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
3-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
CID 57504995
USRE48711, Example 184
CID 58103093
3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 137634439
N-benzyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137642906
3-[(4-propyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137644558
N-benzyl-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137647477

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139360947) is 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CC[C@](C)(N)C3)ccn2)c1.
What is the InChIKey of 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is UOKWFEOWLDFDOO-GYCJOSAFSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-16(11-21-29-27-15-30(21)3)17-5-4-6-19(12-17)28-22(32)20-13-18(7-9-26-20)23(33)31-10-8-24(2,25)14-31/h4-7,9,12-13,15-16H,8,10-11,14,25H2,1-3H3,(H,28,32)/t16-,24+/m1/s1.
What are the key properties of 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-amino-3-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139360947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).