N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide

C16H19N5O2 — CID 10615090

IUPACN,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNCCNC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H19N5O2/c17-5-7-19-15(22)13-14-11(9-21(8-6-18)16(13)23)10-3-1-2-4-12(10)20-14/h1-4,9,20H,5-8,17-18H2,(H,19,22)
InChIKeyBOKCBAMQDPBUDE-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.13
Rot. Bonds5

About N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide

N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 10615090) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound NameN,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID10615090
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNCCNC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H19N5O2/c17-5-7-19-15(22)13-14-11(9-21(8-6-18)16(13)23)10-3-1-2-4-12(10)20-14/h1-4,9,20H,5-8,17-18H2,(H,19,22)
InChIKeyBOKCBAMQDPBUDE-UHFFFAOYSA-N
XLogP0.13
TPSA118.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
3H-Pyrido[3,4-b]indol-3-one, 2,9-dihydro-
CID 14146438
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propylpropanamide
CID 2017572
N-(cyclohexylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2078434
2-(2,3-dioxo-1-indolyl)-N-(2-phenylethyl)acetamide
CID 4410320
2-Hydroxy-4-[3-(2-oxo-pyrrolidin-1-yl)-propylamino]-quinoline-3-carbaldehyde
CID 6504175
2-Hydroxy-4-[3-(4-methyl-piperazin-1-yl)-propylamino]-quinoline-3-carbaldehyde
CID 6504178
4-indolinyl-4-oxo-N-phenylbutanamide
CID 658541
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
Butabindide
CID 9817923

Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide (CID 10615090) is N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide is NCCNC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12.
What is the InChIKey of N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is BOKCBAMQDPBUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-5-7-19-15(22)13-14-11(9-21(8-6-18)16(13)23)10-3-1-2-4-12(10)20-14/h1-4,9,20H,5-8,17-18H2,(H,19,22).
What are the key properties of N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide?
N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 10615090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).