4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide

C25H27F2N7O2 — CID 46209282

IUPAC4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCN1CCCN(C(=O)c2ccc(Nc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C25H27F2N7O2/c1-33-8-3-9-34(11-10-33)25(36)16-6-7-22(30-13-16)32-23-12-21(18(15-31-23)24(28)35)29-14-17-19(26)4-2-5-20(17)27/h2,4-7,12-13,15H,3,8-11,14H2,1H3,(H2,28,35)(H2,29,30,31,32)
InChIKeyDBAPJFHONIDXTE-UHFFFAOYSA-N
MW495.53 g/mol
LogP2.99
Rot. Bonds7

About 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 46209282) has the molecular formula C25H27F2N7O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID46209282
Molecular FormulaC25H27F2N7O2
Molecular Weight495.53 g/mol
Exact Mass495.22
IUPAC Name4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCN1CCCN(C(=O)c2ccc(Nc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C25H27F2N7O2/c1-33-8-3-9-34(11-10-33)25(36)16-6-7-22(30-13-16)32-23-12-21(18(15-31-23)24(28)35)29-14-17-19(26)4-2-5-20(17)27/h2,4-7,12-13,15H,3,8-11,14H2,1H3,(H2,28,35)(H2,29,30,31,32)
InChIKeyDBAPJFHONIDXTE-UHFFFAOYSA-N
XLogP2.99
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
6-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 46209281
4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 58440353
1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone
CID 129266295
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
2,6-dichloro-N-[6-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]benzamide
CID 59618216
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 46209282) is 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide is CN1CCCN(C(=O)c2ccc(Nc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)CC1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is DBAPJFHONIDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2/c1-33-8-3-9-34(11-10-33)25(36)16-6-7-22(30-13-16)32-23-12-21(18(15-31-23)24(28)35)29-14-17-19(26)4-2-5-20(17)27/h2,4-7,12-13,15H,3,8-11,14H2,1H3,(H2,28,35)(H2,29,30,31,32).
What are the key properties of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 46209282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).