N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide

C27H26N6O2 — CID 125014801

IUPACN-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)c3ccc(Cn4cccn4)cc3)n2)nc1
InChIInChI=1S/C27H26N6O2/c1-19-8-13-25(28-17-19)31-26(34)23-6-2-5-22(30-23)24-7-3-16-33(24)27(35)21-11-9-20(10-12-21)18-32-15-4-14-29-32/h2,4-6,8-15,17,24H,3,7,16,18H2,1H3,(H,28,31,34)/t24-/m0/s1
InChIKeyWPCKSQALZBZHTB-DEOSSOPVSA-N
MW466.55 g/mol
LogP4.26
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide

N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide (PubChem CID 125014801) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
PubChem CID125014801
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)c3ccc(Cn4cccn4)cc3)n2)nc1
InChIInChI=1S/C27H26N6O2/c1-19-8-13-25(28-17-19)31-26(34)23-6-2-5-22(30-23)24-7-3-16-33(24)27(35)21-11-9-20(10-12-21)18-32-15-4-14-29-32/h2,4-6,8-15,17,24H,3,7,16,18H2,1H3,(H,28,31,34)/t24-/m0/s1
InChIKeyWPCKSQALZBZHTB-DEOSSOPVSA-N
XLogP4.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S)-1-[3-(imidazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 125005305
6-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124987317
6-[(2R)-1-[1-(1-methylpiperidin-4-yl)piperidine-4-carbonyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124956223
6-[1-[3-(3,5-dioxomorpholin-4-yl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 110122471
6-[(2R)-1-[2-[3-(dimethylamino)phenoxy]acetyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124945798
6-[1-[3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 110152826
(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110267180
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97142527
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
CID 110089721
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide (CID 125014801) is N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)c3ccc(Cn4cccn4)cc3)n2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide?
The InChIKey is WPCKSQALZBZHTB-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-19-8-13-25(28-17-19)31-26(34)23-6-2-5-22(30-23)24-7-3-16-33(24)27(35)21-11-9-20(10-12-21)18-32-15-4-14-29-32/h2,4-6,8-15,17,24H,3,7,16,18H2,1H3,(H,28,31,34)/t24-/m0/s1.
What are the key properties of N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide?
N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 125014801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).