N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide

C17H12N4O — CID 11644941

IUPACN-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C17H12N4O/c22-17(21-15-5-1-2-8-18-15)11-6-7-14-13(10-11)12-4-3-9-19-16(12)20-14/h1-10H,(H,19,20)(H,18,21,22)
InChIKeyVMGDPDINMFHLLT-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.36
Rot. Bonds2

About N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide

N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide (PubChem CID 11644941) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide
PubChem CID11644941
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC NameN-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C17H12N4O/c22-17(21-15-5-1-2-8-18-15)11-6-7-14-13(10-11)12-4-3-9-19-16(12)20-14/h1-10H,(H,19,20)(H,18,21,22)
InChIKeyVMGDPDINMFHLLT-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide?
The IUPAC name of N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide (CID 11644941) is N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide?
The canonical SMILES for N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide is O=C(Nc1ccccn1)c1ccc2[nH]c3ncccc3c2c1.
What is the InChIKey of N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide?
The InChIKey is VMGDPDINMFHLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17(21-15-5-1-2-8-18-15)11-6-7-14-13(10-11)12-4-3-9-19-16(12)20-14/h1-10H,(H,19,20)(H,18,21,22).
What are the key properties of N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide?
N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide is sourced from PubChem (CID 11644941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).