5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C29H31FN6O3 — CID 146411809

IUPAC5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(C(C)CNC(=O)c2ccc(F)cc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C29H31FN6O3/c1-17(2)36-16-32-35-27(36)24-7-6-8-26(33-24)34-29(38)23-14-22(18(3)13-25(23)39-5)19(4)15-31-28(37)20-9-11-21(30)12-10-20/h6-14,16-17,19H,15H2,1-5H3,(H,31,37)(H,33,34,38)
InChIKeyJYXYVQFHVQTVGC-UHFFFAOYSA-N
MW530.60 g/mol
LogP5.16
Rot. Bonds9

About 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 146411809) has the molecular formula C29H31FN6O3 and a molecular weight of 530.60 g/mol. Its IUPAC name is 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID146411809
Molecular FormulaC29H31FN6O3
Molecular Weight530.60 g/mol
Exact Mass530.24
IUPAC Name5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(C(C)CNC(=O)c2ccc(F)cc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C29H31FN6O3/c1-17(2)36-16-32-35-27(36)24-7-6-8-26(33-24)34-29(38)23-14-22(18(3)13-25(23)39-5)19(4)15-31-28(37)20-9-11-21(30)12-10-20/h6-14,16-17,19H,15H2,1-5H3,(H,31,37)(H,33,34,38)
InChIKeyJYXYVQFHVQTVGC-UHFFFAOYSA-N
XLogP5.16
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
CID 131955125
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
4-methoxy-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145981571
4-methoxy-6-methyl-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 145994100
4-(aminomethyl)-6-methoxy-2-[6-[4-[(2S)-4,4,4-trifluorobutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one;hydrochloride
CID 166627467
2-[6-[4-[(1S)-1-cyclopropylethyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-methoxy-4-(methylaminomethyl)-3H-isoindol-1-one;hydrochloride
CID 166630963
6-methoxy-4-(methylaminomethyl)-2-[6-[4-[(3S)-1,1,1-trifluoropentan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 166634204
2-amino-N-[(1S)-1-(8-methoxy-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89842245

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 146411809) is 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COc1cc(C)c(C(C)CNC(=O)c2ccc(F)cc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is JYXYVQFHVQTVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O3/c1-17(2)36-16-32-35-27(36)24-7-6-8-26(33-24)34-29(38)23-14-22(18(3)13-25(23)39-5)19(4)15-31-28(37)20-9-11-21(30)12-10-20/h6-14,16-17,19H,15H2,1-5H3,(H,31,37)(H,33,34,38).
What are the key properties of 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 530.60 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorobenzoyl)amino]propan-2-yl]-2-methoxy-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146411809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).