6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

C21H23N5O — CID 139349852

IUPAC6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc([C@H](C)Cc3ncn[nH]3)c2)nc1C1CC1
InChIInChI=1S/C21H23N5O/c1-13-6-9-18(25-20(13)15-7-8-15)21(27)24-17-5-3-4-16(11-17)14(2)10-19-22-12-23-26-19/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,24,27)(H,22,23,26)/t14-/m1/s1
InChIKeyLMFNEQLZPGYNNU-CQSZACIVSA-N
MW361.45 g/mol
LogP3.98
Rot. Bonds6

About 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349852) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349852
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc([C@H](C)Cc3ncn[nH]3)c2)nc1C1CC1
InChIInChI=1S/C21H23N5O/c1-13-6-9-18(25-20(13)15-7-8-15)21(27)24-17-5-3-4-16(11-17)14(2)10-19-22-12-23-26-19/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,24,27)(H,22,23,26)/t14-/m1/s1
InChIKeyLMFNEQLZPGYNNU-CQSZACIVSA-N
XLogP3.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139349852) is 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccc([C@H](C)Cc3ncn[nH]3)c2)nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is LMFNEQLZPGYNNU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-6-9-18(25-20(13)15-7-8-15)21(27)24-17-5-3-4-16(11-17)14(2)10-19-22-12-23-26-19/h3-6,9,11-12,14-15H,7-8,10H2,1-2H3,(H,24,27)(H,22,23,26)/t14-/m1/s1.
What are the key properties of 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139349852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).