N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide

C22H22FN3O — CID 109161142

IUPACN-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C22H22FN3O/c1-16(2)26(15-17-7-4-3-5-8-17)22(27)18-11-12-21(24-14-18)25-20-10-6-9-19(23)13-20/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyRNVNMRXAZHZUAE-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.02
Rot. Bonds6

About N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109161142) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109161142
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(F)c2)nc1
InChIInChI=1S/C22H22FN3O/c1-16(2)26(15-17-7-4-3-5-8-17)22(27)18-11-12-21(24-14-18)25-20-10-6-9-19(23)13-20/h3-14,16H,15H2,1-2H3,(H,24,25)
InChIKeyRNVNMRXAZHZUAE-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
6-N-benzyl-2-N-(3-fluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099326
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109155319
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109161142) is N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(F)c2)nc1.
What is the InChIKey of N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RNVNMRXAZHZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16(2)26(15-17-7-4-3-5-8-17)22(27)18-11-12-21(24-14-18)25-20-10-6-9-19(23)13-20/h3-14,16H,15H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109161142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).