6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide

C24H23F2N5O2 — CID 67501703

IUPAC6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc(F)c3F)c(C(N)=O)cn2)ccc1C(=O)N1CCC1
InChIInChI=1S/C24H23F2N5O2/c1-14-10-16(6-7-17(14)24(33)31-8-3-9-31)30-21-11-20(18(13-29-21)23(27)32)28-12-15-4-2-5-19(25)22(15)26/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,27,32)(H2,28,29,30)
InChIKeyRNNNGQSJUDUITE-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.97
Rot. Bonds7

About 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide

6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 67501703) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID67501703
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc(F)c3F)c(C(N)=O)cn2)ccc1C(=O)N1CCC1
InChIInChI=1S/C24H23F2N5O2/c1-14-10-16(6-7-17(14)24(33)31-8-3-9-31)30-21-11-20(18(13-29-21)23(27)32)28-12-15-4-2-5-19(25)22(15)26/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,27,32)(H2,28,29,30)
InChIKeyRNNNGQSJUDUITE-UHFFFAOYSA-N
XLogP3.97
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
CID 67501618
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 46209282
4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502230
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 56970431
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
CID 68759976
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 19292997

Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide (CID 67501703) is 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide is Cc1cc(Nc2cc(NCc3cccc(F)c3F)c(C(N)=O)cn2)ccc1C(=O)N1CCC1.
What is the InChIKey of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is RNNNGQSJUDUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-14-10-16(6-7-17(14)24(33)31-8-3-9-31)30-21-11-20(18(13-29-21)23(27)32)28-12-15-4-2-5-19(25)22(15)26/h2,4-7,10-11,13H,3,8-9,12H2,1H3,(H2,27,32)(H2,28,29,30).
What are the key properties of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide?
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67501703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).