4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide

C26H30F2N6O — CID 58450483

IUPAC4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCCN1CCN(c2ccc(Nc3cc(NCc4cc(F)cc(F)c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30F2N6O/c1-2-7-33-8-10-34(11-9-33)22-5-3-21(4-6-22)32-25-15-24(23(17-31-25)26(29)35)30-16-18-12-19(27)14-20(28)13-18/h3-6,12-15,17H,2,7-11,16H2,1H3,(H2,29,35)(H2,30,31,32)
InChIKeyHXZUCEHRVUCKES-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.35
Rot. Bonds9

About 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide

4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 58450483) has the molecular formula C26H30F2N6O and a molecular weight of 480.56 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID58450483
Molecular FormulaC26H30F2N6O
Molecular Weight480.56 g/mol
Exact Mass480.24
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCCN1CCN(c2ccc(Nc3cc(NCc4cc(F)cc(F)c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30F2N6O/c1-2-7-33-8-10-34(11-9-33)22-5-3-21(4-6-22)32-25-15-24(23(17-31-25)26(29)35)30-16-18-12-19(27)14-20(28)13-18/h3-6,12-15,17H,2,7-11,16H2,1H3,(H2,29,35)(H2,30,31,32)
InChIKeyHXZUCEHRVUCKES-UHFFFAOYSA-N
XLogP4.35
TPSA86.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67422918
2-[6-[4-[4-(2-chloroethyl)piperazin-1-yl]anilino]-4-[(3,5-difluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 131730971
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propan-2-ylsulfanyl-1,4-diazepan-4-ium-1-yl)anilino]pyridine-3-carboxamide
CID 163860939
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
6-(2-chloro-4-morpholin-4-ylanilino)-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450660
6-[4-[4-[2-(diethylamino)ethyl]piperazin-1-yl]anilino]-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 46219969
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide (CID 58450483) is 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide is CCCN1CCN(c2ccc(Nc3cc(NCc4cc(F)cc(F)c4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is HXZUCEHRVUCKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O/c1-2-7-33-8-10-34(11-9-33)22-5-3-21(4-6-22)32-25-15-24(23(17-31-25)26(29)35)30-16-18-12-19(27)14-20(28)13-18/h3-6,12-15,17H,2,7-11,16H2,1H3,(H2,29,35)(H2,30,31,32).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-6-[4-(4-propylpiperazin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 58450483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).