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

C22H25N5O2 — CID 139349590

IUPAC6-cyclopropyl-5-(hydroxymethyl)-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)c2ccc(CO)c(C3CC3)n2)c1
InChIInChI=1S/C22H25N5O2/c1-14(10-20-26-23-13-27(20)2)16-4-3-5-18(11-16)24-22(29)19-9-8-17(12-28)21(25-19)15-6-7-15/h3-5,8-9,11,13-15,28H,6-7,10,12H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyPKMOIXOCOKJECD-CQSZACIVSA-N
MW391.48 g/mol
LogP3.18
Rot. Bonds7

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

6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139349590) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139349590
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-cyclopropyl-5-(hydroxymethyl)-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)c2ccc(CO)c(C3CC3)n2)c1
InChIInChI=1S/C22H25N5O2/c1-14(10-20-26-23-13-27(20)2)16-4-3-5-18(11-16)24-22(29)19-9-8-17(12-28)21(25-19)15-6-7-15/h3-5,8-9,11,13-15,28H,6-7,10,12H2,1-2H3,(H,24,29)/t14-/m1/s1
InChIKeyPKMOIXOCOKJECD-CQSZACIVSA-N
XLogP3.18
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[[3-[3-(hydroxymethyl)-4-pyridinyl]-1H-1,2,4-triazol-5-yl]methylamino]benzamide
CID 137660643
2-Cyclopropyl-6-methyl-N-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-pyrimidinecarboxamide
CID 139350084
Cbl-b-IN-1
CID 139360969
6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 155190798
2-cyclopropyl-N-[3-[3-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139349644
6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349712
6-(azetidin-1-ylmethyl)-2-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 139349824
6-cyclopropyl-5-methyl-N-[3-[(2R)-1-(1H-1,2,4-triazol-5-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139349852
6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349858
6-cyclopropyl-4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349872
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139349881
4-(2-azabicyclo[3.1.0]hexan-2-ylmethyl)-6-cyclopropyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349926

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 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) is 6-cyclopropyl-5-(hydroxymethyl)-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 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-(hydroxymethyl)-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)c2ccc(CO)c(C3CC3)n2)c1.
What is the InChIKey of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is PKMOIXOCOKJECD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(10-20-26-23-13-27(20)2)16-4-3-5-18(11-16)24-22(29)19-9-8-17(12-28)21(25-19)15-6-7-15/h3-5,8-9,11,13-15,28H,6-7,10,12H2,1-2H3,(H,24,29)/t14-/m1/s1.
What are the key properties of 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139349590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).