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

C29H32N6O2 — CID 67502761

IUPAC4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccc5cc[nH]c5c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C29H32N6O2/c1-3-28(36)35-14-11-20(12-15-35)19-4-7-22(8-5-19)33-27-17-26(24(18-32-27)29(30)37)34(2)23-9-6-21-10-13-31-25(21)16-23/h4-10,13,16-18,20,31H,3,11-12,14-15H2,1-2H3,(H2,30,37)(H,32,33)
InChIKeyOYZRFGPIIVZQRI-UHFFFAOYSA-N
MW496.62 g/mol
LogP5.29
Rot. Bonds7

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

4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67502761) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
PubChem CID67502761
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccc5cc[nH]c5c4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C29H32N6O2/c1-3-28(36)35-14-11-20(12-15-35)19-4-7-22(8-5-19)33-27-17-26(24(18-32-27)29(30)37)34(2)23-9-6-21-10-13-31-25(21)16-23/h4-10,13,16-18,20,31H,3,11-12,14-15H2,1-2H3,(H2,30,37)(H,32,33)
InChIKeyOYZRFGPIIVZQRI-UHFFFAOYSA-N
XLogP5.29
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67501907
4-[methyl(pyridin-2-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67500903
4-(3-methylbutan-2-ylamino)-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502547
4-[1H-indol-4-yl(methyl)amino]-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501878
6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
CID 67509649
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
CID 67516012
6-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-4-(1H-indol-4-ylmethylamino)pyridine-3-carboxamide
CID 87424144
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501741
7-(1H-indol-6-ylamino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540852
8-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58094409
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 56970219

Frequently Asked Questions

What is the IUPAC name of 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67502761) is 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4ccc5cc[nH]c5c4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
The InChIKey is OYZRFGPIIVZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-3-28(36)35-14-11-20(12-15-35)19-4-7-22(8-5-19)33-27-17-26(24(18-32-27)29(30)37)34(2)23-9-6-21-10-13-31-25(21)16-23/h4-10,13,16-18,20,31H,3,11-12,14-15H2,1-2H3,(H2,30,37)(H,32,33).
What are the key properties of 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?
4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-indol-6-yl(methyl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67502761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).