N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide

C18H13ClN4O — CID 21362687

IUPACN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H13ClN4O/c19-11-7-14-13-4-6-20-10-16(13)23-18(14)15(8-11)22-17(24)9-12-3-1-2-5-21-12/h1-8,10,23H,9H2,(H,22,24)
InChIKeyKNFPDDQBEKGJKM-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.95
Rot. Bonds3

About N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide (PubChem CID 21362687) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide
PubChem CID21362687
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC NameN-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C18H13ClN4O/c19-11-7-14-13-4-6-20-10-16(13)23-18(14)15(8-11)22-17(24)9-12-3-1-2-5-21-12/h1-8,10,23H,9H2,(H,22,24)
InChIKeyKNFPDDQBEKGJKM-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide (CID 21362687) is N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide?
The InChIKey is KNFPDDQBEKGJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-11-7-14-13-4-6-20-10-16(13)23-18(14)15(8-11)22-17(24)9-12-3-1-2-5-21-12/h1-8,10,23H,9H2,(H,22,24).
What are the key properties of N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide?
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide has a molecular weight of 336.78 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 21362687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).