N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide

C19H12ClFN4O2 — CID 58487125

IUPACN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide
SMILESCc1nc2cc(Cl)c(-c3ccc(NC(=O)c4ccncc4F)nc3)cc2o1
InChIInChI=1S/C19H12ClFN4O2/c1-10-24-16-7-14(20)13(6-17(16)27-10)11-2-3-18(23-8-11)25-19(26)12-4-5-22-9-15(12)21/h2-9H,1H3,(H,23,25,26)
InChIKeyCQDJZFCUIIWDMN-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.64
Rot. Bonds3

About N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide

N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide (PubChem CID 58487125) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide
PubChem CID58487125
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC NameN-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide
SMILESCc1nc2cc(Cl)c(-c3ccc(NC(=O)c4ccncc4F)nc3)cc2o1
InChIInChI=1S/C19H12ClFN4O2/c1-10-24-16-7-14(20)13(6-17(16)27-10)11-2-3-18(23-8-11)25-19(26)12-4-5-22-9-15(12)21/h2-9H,1H3,(H,23,25,26)
InChIKeyCQDJZFCUIIWDMN-UHFFFAOYSA-N
XLogP4.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]pyridine-4-carboxamide
CID 58487162
3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
CID 137152670
N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 159937794
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
N-[5-(2-chloro-3,4,6-trifluoro-5-methylphenyl)pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
CID 87924083
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 71010092

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide (CID 58487125) is N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide is Cc1nc2cc(Cl)c(-c3ccc(NC(=O)c4ccncc4F)nc3)cc2o1.
What is the InChIKey of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CQDJZFCUIIWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c1-10-24-16-7-14(20)13(6-17(16)27-10)11-2-3-18(23-8-11)25-19(26)12-4-5-22-9-15(12)21/h2-9H,1H3,(H,23,25,26).
What are the key properties of N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide?
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 382.78 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 58487125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).