6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide

C23H31N7O2 — CID 58792219

IUPAC6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide
SMILESCCN(CC)CCCCC(=O)Nc1cc(Nc2ccc3ccn(C(=O)NC)c3c2)ncn1
InChIInChI=1S/C23H31N7O2/c1-4-29(5-2)12-7-6-8-22(31)28-21-15-20(25-16-26-21)27-18-10-9-17-11-13-30(19(17)14-18)23(32)24-3/h9-11,13-16H,4-8,12H2,1-3H3,(H,24,32)(H2,25,26,27,28,31)
InChIKeyFFAUYAGXSCWTQF-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.81
Rot. Bonds10

About 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide

6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide (PubChem CID 58792219) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide
PubChem CID58792219
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide
SMILESCCN(CC)CCCCC(=O)Nc1cc(Nc2ccc3ccn(C(=O)NC)c3c2)ncn1
InChIInChI=1S/C23H31N7O2/c1-4-29(5-2)12-7-6-8-22(31)28-21-15-20(25-16-26-21)27-18-10-9-17-11-13-30(19(17)14-18)23(32)24-3/h9-11,13-16H,4-8,12H2,1-3H3,(H,24,32)(H2,25,26,27,28,31)
InChIKeyFFAUYAGXSCWTQF-UHFFFAOYSA-N
XLogP3.81
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-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

5-[[6-[(4-butanimidoylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]amino]-N-ethylindole-1-carboxamide
CID 175250346
N-[4-[[6-[1-[4-(diethylamino)butyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]-2-fluoro-4-methylbenzenesulfonamide
CID 69135880
1-[6-(methylamino)indol-1-yl]ethanone
CID 133054657
2-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 70186989
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]butanamide
CID 108810270
butyl 4-[5-(diethylamino)pentanoylamino]benzoate;hydrochloride
CID 54599614
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]-[(3R)-3-hydroxybutyl]amino]-N-methylindole-1-carboxamide
CID 118901174

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide?
The IUPAC name of 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide (CID 58792219) is 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide is CCN(CC)CCCCC(=O)Nc1cc(Nc2ccc3ccn(C(=O)NC)c3c2)ncn1.
What is the InChIKey of 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide?
The InChIKey is FFAUYAGXSCWTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-4-29(5-2)12-7-6-8-22(31)28-21-15-20(25-16-26-21)27-18-10-9-17-11-13-30(19(17)14-18)23(32)24-3/h9-11,13-16H,4-8,12H2,1-3H3,(H,24,32)(H2,25,26,27,28,31).
What are the key properties of 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide?
6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[5-(diethylamino)pentanoylamino]pyrimidin-4-yl]amino]-N-methylindole-1-carboxamide is sourced from PubChem (CID 58792219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).