2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide

C23H24FN5O2 — CID 60556369

IUPAC2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cccnc2Nc2ccccc2F)cc1
InChIInChI=1S/C23H24FN5O2/c1-15(2)27-23(31)28-17-11-9-16(10-12-17)14-26-22(30)18-6-5-13-25-21(18)29-20-8-4-3-7-19(20)24/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)(H2,27,28,31)
InChIKeyPCQMPEMLCPVZBQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.42
Rot. Bonds7

About 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide

2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 60556369) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID60556369
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cccnc2Nc2ccccc2F)cc1
InChIInChI=1S/C23H24FN5O2/c1-15(2)27-23(31)28-17-11-9-16(10-12-17)14-26-22(30)18-6-5-13-25-21(18)29-20-8-4-3-7-19(20)24/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)(H2,27,28,31)
InChIKeyPCQMPEMLCPVZBQ-UHFFFAOYSA-N
XLogP4.42
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]isoquinoline-1-carboxamide
CID 51128129
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 134052140
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
5-(2-fluoroanilino)-N-[(4-propan-2-ylphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929044
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide (CID 60556369) is 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2cccnc2Nc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PCQMPEMLCPVZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-15(2)27-23(31)28-17-11-9-16(10-12-17)14-26-22(30)18-6-5-13-25-21(18)29-20-8-4-3-7-19(20)24/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)(H2,27,28,31).
What are the key properties of 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 60556369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).