9H-pyrimido[4,5-b]indole-2-carboxamide

C11H8N4O — CID 141000079

IUPAC9H-pyrimido[4,5-b]indole-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C11H8N4O/c12-9(16)11-13-5-7-6-3-1-2-4-8(6)14-10(7)15-11/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyLAYOGDUDCLCOHU-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.21
Rot. Bonds1

About 9H-pyrimido[4,5-b]indole-2-carboxamide

9H-pyrimido[4,5-b]indole-2-carboxamide (PubChem CID 141000079) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 9H-pyrimido[4,5-b]indole-2-carboxamide.

Molecular Properties

Compound Name9H-pyrimido[4,5-b]indole-2-carboxamide
PubChem CID141000079
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name9H-pyrimido[4,5-b]indole-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C11H8N4O/c12-9(16)11-13-5-7-6-3-1-2-4-8(6)14-10(7)15-11/h1-5H,(H2,12,16)(H,13,14,15)
InChIKeyLAYOGDUDCLCOHU-UHFFFAOYSA-N
XLogP1.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-pyrimido[4,5-b]indole-2-carboxylic acid
CID 82394262
9H-pyrido[2,3-b]indole-3-carboxamide
CID 69263092
5H-pyrimido[5,4-b]indole-2-carboxylic acid
CID 13321935
9H-carbazole;carbonic acid
CID 67577328
2-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
CID 171776356
9H-carbazole;prop-2-enamide
CID 174545742
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
[(3-carbamoyl-1H-indol-2-yl)-(5,6-dimethylidenepyrazin-2-yl)methylidene]azanide
CID 163742109
N,N-diethyl-2-(9H-pyrimido[4,5-b]indol-2-ylsulfanyl)ethanamine
CID 15399128
9H-carbazole
CID 66668984
(3-carbamoyl-1H-indol-2-yl)-trimethylazanium
CID 174471865
2H-phthalazin-1-one;5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
CID 71118294

Frequently Asked Questions

What is the IUPAC name of 9H-pyrimido[4,5-b]indole-2-carboxamide?
The IUPAC name of 9H-pyrimido[4,5-b]indole-2-carboxamide (CID 141000079) is 9H-pyrimido[4,5-b]indole-2-carboxamide.
What is the SMILES notation for 9H-pyrimido[4,5-b]indole-2-carboxamide?
The canonical SMILES for 9H-pyrimido[4,5-b]indole-2-carboxamide is NC(=O)c1ncc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 9H-pyrimido[4,5-b]indole-2-carboxamide?
The InChIKey is LAYOGDUDCLCOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-9(16)11-13-5-7-6-3-1-2-4-8(6)14-10(7)15-11/h1-5H,(H2,12,16)(H,13,14,15).
What are the key properties of 9H-pyrimido[4,5-b]indole-2-carboxamide?
9H-pyrimido[4,5-b]indole-2-carboxamide has a molecular weight of 212.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrimido[4,5-b]indole-2-carboxamide is sourced from PubChem (CID 141000079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).