3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C17H17ClN4O2 — CID 168879675

IUPAC3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2n(Cc3ccc(Cl)nc3)cccc-2c1=O
InChIInChI=1S/C17H17ClN4O2/c1-2-3-9-22-16(23)13-5-4-8-21(15(13)20-17(22)24)11-12-6-7-14(18)19-10-12/h4-8,10H,2-3,9,11H2,1H3
InChIKeyRHGAMXYTFSNMSW-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.41
Rot. Bonds5

About 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879675) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879675
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2n(Cc3ccc(Cl)nc3)cccc-2c1=O
InChIInChI=1S/C17H17ClN4O2/c1-2-3-9-22-16(23)13-5-4-8-21(15(13)20-17(22)24)11-12-6-7-14(18)19-10-12/h4-8,10H,2-3,9,11H2,1H3
InChIKeyRHGAMXYTFSNMSW-UHFFFAOYSA-N
XLogP2.41
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879675) is 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)nc2n(Cc3ccc(Cl)nc3)cccc-2c1=O.
What is the InChIKey of 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RHGAMXYTFSNMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-2-3-9-22-16(23)13-5-4-8-21(15(13)20-17(22)24)11-12-6-7-14(18)19-10-12/h4-8,10H,2-3,9,11H2,1H3.
What are the key properties of 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 344.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-[(6-chloro-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).