3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide

C14H13ClN4O — CID 68680322

IUPAC3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)CCNC2)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-2-9(6-11)13(20)19-14-17-8-10-7-16-5-4-12(10)18-14/h1-3,6,8,16H,4-5,7H2,(H,17,18,19,20)
InChIKeyQRZZDZLQTDWYJH-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.03
Rot. Bonds2

About 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide

3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide (PubChem CID 68680322) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide
PubChem CID68680322
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)CCNC2)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-2-9(6-11)13(20)19-14-17-8-10-7-16-5-4-12(10)18-14/h1-3,6,8,16H,4-5,7H2,(H,17,18,19,20)
InChIKeyQRZZDZLQTDWYJH-UHFFFAOYSA-N
XLogP2.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide (CID 68680322) is 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide is O=C(Nc1ncc2c(n1)CCNC2)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide?
The InChIKey is QRZZDZLQTDWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-3-1-2-9(6-11)13(20)19-14-17-8-10-7-16-5-4-12(10)18-14/h1-3,6,8,16H,4-5,7H2,(H,17,18,19,20).
What are the key properties of 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide?
3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide has a molecular weight of 288.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 68680322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).