2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

C16H14FN5O — CID 51335853

IUPAC2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cccnc2Nc2ccccc2F)n1
InChIInChI=1S/C16H14FN5O/c1-22-10-8-14(21-22)20-16(23)11-5-4-9-18-15(11)19-13-7-3-2-6-12(13)17/h2-10H,1H3,(H,18,19)(H,20,21,23)
InChIKeyKHHHRZGTWYGZKS-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 51335853) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID51335853
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cccnc2Nc2ccccc2F)n1
InChIInChI=1S/C16H14FN5O/c1-22-10-8-14(21-22)20-16(23)11-5-4-9-18-15(11)19-13-7-3-2-6-12(13)17/h2-10H,1H3,(H,18,19)(H,20,21,23)
InChIKeyKHHHRZGTWYGZKS-UHFFFAOYSA-N
XLogP2.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (CID 51335853) is 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is Cn1ccc(NC(=O)c2cccnc2Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is KHHHRZGTWYGZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-22-10-8-14(21-22)20-16(23)11-5-4-9-18-15(11)19-13-7-3-2-6-12(13)17/h2-10H,1H3,(H,18,19)(H,20,21,23).
What are the key properties of 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 51335853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).