N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H19FN4O2 — CID 70978029

IUPACN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1cnc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H19FN4O2/c1-12-8-25-20(28-15-4-5-15)7-16(12)14-3-6-19(24-9-14)26-21(27)17-10-23-11-18(22)13(17)2/h3,6-11,15H,4-5H2,1-2H3,(H,24,26,27)
InChIKeyBEDQLVWXFUCSLN-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.09
Rot. Bonds5

About N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978029) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978029
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESCc1cnc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H19FN4O2/c1-12-8-25-20(28-15-4-5-15)7-16(12)14-3-6-19(24-9-14)26-21(27)17-10-23-11-18(22)13(17)2/h3,6-11,15H,4-5H2,1-2H3,(H,24,26,27)
InChIKeyBEDQLVWXFUCSLN-UHFFFAOYSA-N
XLogP4.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide with MolForge

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Related Compounds

2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
Nevirapin 4-substituted deriv. 4p
CID 464536
Nevirapin 2,4-Disubstituted deriv. 11b
CID 464557
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 20773471
2-((3-fluorobenzyl)oxy)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008606
N-[2-[6-fluoro-2-(2-methoxypyrimidin-5-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71456413
N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
N-[5-(3-cyclopropyloxyphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 129240126
N-[5-(furan-2-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240160
2-(3-(o-tolyloxy)propoxy)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135812996

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978029) is N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is Cc1cnc(OC2CC2)cc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is BEDQLVWXFUCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-8-25-20(28-15-4-5-15)7-16(12)14-3-6-19(24-9-14)26-21(27)17-10-23-11-18(22)13(17)2/h3,6-11,15H,4-5H2,1-2H3,(H,24,26,27).
What are the key properties of N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclopropyloxy-5-methyl-4-pyridinyl)-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).