2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide

C26H29N5O — CID 90726434

IUPAC2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCCc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC5CCN(C)CC5)ccc4c3n2)c1
InChIInChI=1S/C26H29N5O/c1-3-16-5-4-6-17(13-16)22-15-21(26(27)32)25-24(29-22)20-8-7-19(14-23(20)30-25)28-18-9-11-31(2)12-10-18/h4-8,13-15,18,28,30H,3,9-12H2,1-2H3,(H2,27,32)
InChIKeyOYQBMMYSFIZTNW-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.55
Rot. Bonds5

About 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 90726434) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID90726434
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCCc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC5CCN(C)CC5)ccc4c3n2)c1
InChIInChI=1S/C26H29N5O/c1-3-16-5-4-6-17(13-16)22-15-21(26(27)32)25-24(29-22)20-8-7-19(14-23(20)30-25)28-18-9-11-31(2)12-10-18/h4-8,13-15,18,28,30H,3,9-12H2,1-2H3,(H2,27,32)
InChIKeyOYQBMMYSFIZTNW-UHFFFAOYSA-N
XLogP4.55
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 90726434) is 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide is CCc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC5CCN(C)CC5)ccc4c3n2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is OYQBMMYSFIZTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-3-16-5-4-6-17(13-16)22-15-21(26(27)32)25-24(29-22)20-8-7-19(14-23(20)30-25)28-18-9-11-31(2)12-10-18/h4-8,13-15,18,28,30H,3,9-12H2,1-2H3,(H2,27,32).
What are the key properties of 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 90726434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).