N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide

C23H18FN5O — CID 118724324

IUPACN-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1Nc1ccccc1)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O/c24-16-10-12-18(13-11-16)27-21-19(8-4-14-25-21)23(30)29-20-9-5-15-26-22(20)28-17-6-2-1-3-7-17/h1-15H,(H,25,27)(H,26,28)(H,29,30)
InChIKeyQMCHPHAOVDZTIQ-UHFFFAOYSA-N
MW399.43 g/mol
LogP5.36
Rot. Bonds6

About N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide

N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 118724324) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID118724324
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC NameN-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1Nc1ccccc1)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O/c24-16-10-12-18(13-11-16)27-21-19(8-4-14-25-21)23(30)29-20-9-5-15-26-22(20)28-17-6-2-1-3-7-17/h1-15H,(H,25,27)(H,26,28)(H,29,30)
InChIKeyQMCHPHAOVDZTIQ-UHFFFAOYSA-N
XLogP5.36
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632659
2-(2-bromoanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 23632878
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide (CID 118724324) is N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccnc1Nc1ccccc1)c1cccnc1Nc1ccc(F)cc1.
What is the InChIKey of N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is QMCHPHAOVDZTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-16-10-12-18(13-11-16)27-21-19(8-4-14-25-21)23(30)29-20-9-5-15-26-22(20)28-17-6-2-1-3-7-17/h1-15H,(H,25,27)(H,26,28)(H,29,30).
What are the key properties of N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).