4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C26H30N6O2 — CID 67500903

IUPAC4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyFNEQQQGTVRNMCS-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.20
Rot. Bonds7

About 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67500903) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
PubChem CID67500903
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyFNEQQQGTVRNMCS-UHFFFAOYSA-N
XLogP4.20
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide with MolForge

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Related Compounds

Motesanib
CID 11667893
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Rivoceranib Mesylate
CID 45139106
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
BPKDi
CID 46901383
Motesanib Diphosphate
CID 16097729
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659
8-(3-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218660
8-(4,4-dimethylcyclohexyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218662
N-{4-[(6-Oxo-5,6-Dihydrobenzo[c][1,8]naphthyridin-1-Yl)amino]phenyl}benzamide
CID 44189332
PDGFRalpha kinase inhibitor 1
CID 129318936
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67500903) is 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccccn4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is FNEQQQGTVRNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-3-25(33)32-14-11-19(12-15-32)18-7-9-20(10-8-18)30-23-16-22(21(17-29-23)26(27)34)31(2)24-6-4-5-13-28-24/h4-10,13,16-17,19H,3,11-12,14-15H2,1-2H3,(H2,27,34)(H,29,30).
What are the key properties of 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67500903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).