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

C25H30N6O3 — CID 139349601

IUPAC4-(4-hydroxy-3,3-dimethylpyrrolidine-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(O)C(C)(C)C3)ccn2)c1
InChIInChI=1S/C25H30N6O3/c1-16(10-22-29-27-15-30(22)4)17-6-5-7-19(11-17)28-23(33)20-12-18(8-9-26-20)24(34)31-13-21(32)25(2,3)14-31/h5-9,11-12,15-16,21,32H,10,13-14H2,1-4H3,(H,28,33)/t16-,21?/m1/s1
InChIKeyNNVLSSXFDAINLL-UJONTBEJSA-N
MW462.55 g/mol
LogP2.65
Rot. Bonds6

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

4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349601) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-(4-hydroxy-3,3-dimethylpyrrolidine-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-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349601
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name4-(4-hydroxy-3,3-dimethylpyrrolidine-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(O)C(C)(C)C3)ccn2)c1
InChIInChI=1S/C25H30N6O3/c1-16(10-22-29-27-15-30(22)4)17-6-5-7-19(11-17)28-23(33)20-12-18(8-9-26-20)24(34)31-13-21(32)25(2,3)14-31/h5-9,11-12,15-16,21,32H,10,13-14H2,1-4H3,(H,28,33)/t16-,21?/m1/s1
InChIKeyNNVLSSXFDAINLL-UJONTBEJSA-N
XLogP2.65
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-hydroxy-3,3-dimethylpyrrolidine-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

2-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide
CID 139360604
USRE48711, Example 206
CID 58103086
2-cyclopropyl-6-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 139350106
6-(2-hydroxyethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350184
4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350370
4-(3-hydroxy-2,2-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350504
4-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350563
4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350681
N-[3-[(2R)-1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 139350938
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 139360648
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139360658
6-tert-butyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139360659

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,3-dimethylpyrrolidine-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-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139349601) is 4-(4-hydroxy-3,3-dimethylpyrrolidine-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-(4-hydroxy-3,3-dimethylpyrrolidine-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-(4-hydroxy-3,3-dimethylpyrrolidine-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(O)C(C)(C)C3)ccn2)c1.
What is the InChIKey of 4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is NNVLSSXFDAINLL-UJONTBEJSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-16(10-22-29-27-15-30(22)4)17-6-5-7-19(11-17)28-23(33)20-12-18(8-9-26-20)24(34)31-13-21(32)25(2,3)14-31/h5-9,11-12,15-16,21,32H,10,13-14H2,1-4H3,(H,28,33)/t16-,21?/m1/s1.
What are the key properties of 4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
4-(4-hydroxy-3,3-dimethylpyrrolidine-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 462.55 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,3-dimethylpyrrolidine-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 139349601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).