3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide

C10H12Cl2N4O — CID 87650656

IUPAC3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
SMILESNC(=O)CCN1CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C10H12Cl2N4O/c11-9-6-5-16(4-2-8(13)17)3-1-7(6)14-10(12)15-9/h1-5H2,(H2,13,17)
InChIKeyCUDDFHCQCDXZHE-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.02
Rot. Bonds3

About 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide

3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide (PubChem CID 87650656) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
PubChem CID87650656
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
SMILESNC(=O)CCN1CCc2nc(Cl)nc(Cl)c2C1
InChIInChI=1S/C10H12Cl2N4O/c11-9-6-5-16(4-2-8(13)17)3-1-7(6)14-10(12)15-9/h1-5H2,(H2,13,17)
InChIKeyCUDDFHCQCDXZHE-UHFFFAOYSA-N
XLogP1.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide (CID 87650656) is 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide is NC(=O)CCN1CCc2nc(Cl)nc(Cl)c2C1.
What is the InChIKey of 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is CUDDFHCQCDXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-9-6-5-16(4-2-8(13)17)3-1-7(6)14-10(12)15-9/h1-5H2,(H2,13,17).
What are the key properties of 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide?
3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 275.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 87650656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).