N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide

C16H19FN4O — CID 119625766

IUPACN-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCC(C)(N)CNC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C16H19FN4O/c1-16(2,18)10-20-15(22)11-6-5-9-19-14(11)21-13-8-4-3-7-12(13)17/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVSQQTVYXXNQDLP-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.43
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide

N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 119625766) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
PubChem CID119625766
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
SMILESCC(C)(N)CNC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C16H19FN4O/c1-16(2,18)10-20-15(22)11-6-5-9-19-14(11)21-13-8-4-3-7-12(13)17/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVSQQTVYXXNQDLP-UHFFFAOYSA-N
XLogP2.43
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
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2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
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2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 120946923
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CID 47142435
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
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2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 60556369
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237892
2-(2-fluoroanilino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 51335853

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide (CID 119625766) is N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide is CC(C)(N)CNC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is VSQQTVYXXNQDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-16(2,18)10-20-15(22)11-6-5-9-19-14(11)21-13-8-4-3-7-12(13)17/h3-9H,10,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide?
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 119625766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).