6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide

C18H15ClFN5O — CID 67500823

IUPAC6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1NCc1cncc(F)c1
InChIInChI=1S/C18H15ClFN5O/c19-12-2-1-3-14(5-12)25-17-6-16(15(10-24-17)18(21)26)23-8-11-4-13(20)9-22-7-11/h1-7,9-10H,8H2,(H2,21,26)(H2,23,24,25)
InChIKeyDVVHVKPQKZFPMG-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.72
Rot. Bonds6

About 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide

6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 67500823) has the molecular formula C18H15ClFN5O and a molecular weight of 371.80 g/mol. Its IUPAC name is 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID67500823
Molecular FormulaC18H15ClFN5O
Molecular Weight371.80 g/mol
Exact Mass371.09
IUPAC Name6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1NCc1cncc(F)c1
InChIInChI=1S/C18H15ClFN5O/c19-12-2-1-3-14(5-12)25-17-6-16(15(10-24-17)18(21)26)23-8-11-4-13(20)9-22-7-11/h1-7,9-10H,8H2,(H2,21,26)(H2,23,24,25)
InChIKeyDVVHVKPQKZFPMG-UHFFFAOYSA-N
XLogP3.72
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67502997
4-[(5-fluoro-3-pyridinyl)methylamino]-6-[4-(2,2,2-trifluoroethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 67500427
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
CID 159420152
CID 159420152
6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 89012362
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
4-[(3,5-difluorophenyl)methylamino]-6-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]anilino]pyridine-3-carboxamide
CID 87394604
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide (CID 67500823) is 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccc(Cl)c2)cc1NCc1cncc(F)c1.
What is the InChIKey of 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is DVVHVKPQKZFPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O/c19-12-2-1-3-14(5-12)25-17-6-16(15(10-24-17)18(21)26)23-8-11-4-13(20)9-22-7-11/h1-7,9-10H,8H2,(H2,21,26)(H2,23,24,25).
What are the key properties of 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67500823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).