N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C14H14N4O — CID 52944727

IUPACN-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNCCNC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N4O/c15-6-8-17-14(19)13-12-10(5-7-16-13)9-3-1-2-4-11(9)18-12/h1-5,7,18H,6,8,15H2,(H,17,19)
InChIKeyIRMWVDICRHLRPH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.40
Rot. Bonds3

About N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide

N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 52944727) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID52944727
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNCCNC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N4O/c15-6-8-17-14(19)13-12-10(5-7-16-13)9-3-1-2-4-11(9)18-12/h1-5,7,18H,6,8,15H2,(H,17,19)
InChIKeyIRMWVDICRHLRPH-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Indoramin hydrochloride
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3-Acetylindole
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 52944727) is N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide is NCCNC(=O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is IRMWVDICRHLRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-6-8-17-14(19)13-12-10(5-7-16-13)9-3-1-2-4-11(9)18-12/h1-5,7,18H,6,8,15H2,(H,17,19).
What are the key properties of N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 52944727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).