4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide

C23H24F2N6O — CID 46219966

IUPAC4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C23H24F2N6O/c24-16-8-15(9-17(25)10-16)13-28-21-12-22(29-14-20(21)23(26)32)30-18-2-1-3-19(11-18)31-6-4-27-5-7-31/h1-3,8-12,14,27H,4-7,13H2,(H2,26,32)(H2,28,29,30)
InChIKeyGGHBAQRUXWDNBX-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.22
Rot. Bonds7

About 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide

4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 46219966) has the molecular formula C23H24F2N6O and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
PubChem CID46219966
Molecular FormulaC23H24F2N6O
Molecular Weight438.48 g/mol
Exact Mass438.20
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C23H24F2N6O/c24-16-8-15(9-17(25)10-16)13-28-21-12-22(29-14-20(21)23(26)32)30-18-2-1-3-19(11-18)31-6-4-27-5-7-31/h1-3,8-12,14,27H,4-7,13H2,(H2,26,32)(H2,28,29,30)
InChIKeyGGHBAQRUXWDNBX-UHFFFAOYSA-N
XLogP3.22
TPSA95.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Imnopitant
CID 9808518
Dipyridodiazepinone deriv. 21
CID 463148
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
2-Ethyl-13-[2-(3-fluorophenyl)ethyl]-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470738
2-ethyl-9-methyl-13-[(Z)-2-phenylethenyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 5327624
Syk Inhibitor II
CID 9549296
N-[3-(4-Pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-nicotinamide
CID 9947433
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2,4-Diamino-5-ketopyrimidine 20
CID 11975202
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 13
CID 57340661

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide (CID 46219966) is 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is GGHBAQRUXWDNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O/c24-16-8-15(9-17(25)10-16)13-28-21-12-22(29-14-20(21)23(26)32)30-18-2-1-3-19(11-18)31-6-4-27-5-7-31/h1-3,8-12,14,27H,4-7,13H2,(H2,26,32)(H2,28,29,30).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 46219966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).