3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide

C31H27N5O2 — CID 58338206

IUPAC3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
SMILESCC(C)(O)CNc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cnc1C(N)=O
InChIInChI=1S/C31H27N5O2/c1-31(2,38)18-35-25-15-21(17-34-29(25)30(32)37)36-26-12-6-4-9-23(26)28-22(10-7-13-27(28)36)20-14-19-8-3-5-11-24(19)33-16-20/h3-17,35,38H,18H2,1-2H3,(H2,32,37)
InChIKeyLMOPTZRTIIHDOO-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.68
Rot. Bonds6

About 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide

3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide (PubChem CID 58338206) has the molecular formula C31H27N5O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
PubChem CID58338206
Molecular FormulaC31H27N5O2
Molecular Weight501.59 g/mol
Exact Mass501.22
IUPAC Name3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide
SMILESCC(C)(O)CNc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cnc1C(N)=O
InChIInChI=1S/C31H27N5O2/c1-31(2,38)18-35-25-15-21(17-34-29(25)30(32)37)36-26-12-6-4-9-23(26)28-22(10-7-13-27(28)36)20-14-19-8-3-5-11-24(19)33-16-20/h3-17,35,38H,18H2,1-2H3,(H2,32,37)
InChIKeyLMOPTZRTIIHDOO-UHFFFAOYSA-N
XLogP5.68
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-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-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
CID 58338310
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
2-[1-(1-methylimidazol-4-yl)ethylamino]-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 67307881
5-(3-methyl-4-quinolin-3-ylindazol-1-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)amino]pyridine-2-carboxamide
CID 66692856
2-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308148
1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
CID 174659233
9-quinolin-3-ylcarbazole
CID 138984974
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ylmethylamino)benzamide
CID 90717811
2-(3-hydroxypropylamino)-3-(4-quinolin-3-ylcarbazol-9-yl)benzonitrile
CID 67308741
2-aminoacetic acid;3-(cyclohexylamino)-5-(4-quinolin-3-ylcarbazol-9-yl)-1,2-dihydropyridine-2-carboxamide
CID 143871476
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide (CID 58338206) is 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide is CC(C)(O)CNc1cc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cnc1C(N)=O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide?
The InChIKey is LMOPTZRTIIHDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O2/c1-31(2,38)18-35-25-15-21(17-34-29(25)30(32)37)36-26-12-6-4-9-23(26)28-22(10-7-13-27(28)36)20-14-19-8-3-5-11-24(19)33-16-20/h3-17,35,38H,18H2,1-2H3,(H2,32,37).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide?
3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)amino]-5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carboxamide is sourced from PubChem (CID 58338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).