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

C25H30N6O3 — CID 139350938

IUPACN-[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
SMILESCCn1cnnc1C[C@@H](C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1
InChIInChI=1S/C25H30N6O3/c1-4-30-15-27-29-23(30)10-16(2)18-6-5-7-20(12-18)28-24(33)22-13-19(8-9-26-22)25(34)31-14-21(32)11-17(31)3/h5-9,12-13,15-17,21,32H,4,10-11,14H2,1-3H3,(H,28,33)/t16-,17-,21+/m1/s1
InChIKeyAQGDJJMDZGJXPL-LZJOCLMNSA-N
MW462.55 g/mol
LogP2.89
Rot. Bonds7

About 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

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 (PubChem CID 139350938) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID139350938
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[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
SMILESCCn1cnnc1C[C@@H](C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1
InChIInChI=1S/C25H30N6O3/c1-4-30-15-27-29-23(30)10-16(2)18-6-5-7-20(12-18)28-24(33)22-13-19(8-9-26-22)25(34)31-14-21(32)11-17(31)3/h5-9,12-13,15-17,21,32H,4,10-11,14H2,1-3H3,(H,28,33)/t16-,17-,21+/m1/s1
InChIKeyAQGDJJMDZGJXPL-LZJOCLMNSA-N
XLogP2.89
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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 208
CID 58103055
USRE48711, Example 206
CID 58103086
6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139349590
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
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-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 139360648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cnnc1C[C@@H](C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1.
What is the InChIKey of 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?
The InChIKey is AQGDJJMDZGJXPL-LZJOCLMNSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-4-30-15-27-29-23(30)10-16(2)18-6-5-7-20(12-18)28-24(33)22-13-19(8-9-26-22)25(34)31-14-21(32)11-17(31)3/h5-9,12-13,15-17,21,32H,4,10-11,14H2,1-3H3,(H,28,33)/t16-,17-,21+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 462.55 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139350938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).