4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one

C14H19ClN4O2 — CID 64694781

IUPAC4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCCCNc1ccc(Cl)c(C(=O)N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-6-16-11-5-4-10(15)13(17-11)14(21)19-8-7-18(2)12(20)9-19/h4-5H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyDPYZWZXXPYWZKK-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.47
Rot. Bonds4

About 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one

4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one (PubChem CID 64694781) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one
PubChem CID64694781
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one
SMILESCCCNc1ccc(Cl)c(C(=O)N2CCN(C)C(=O)C2)n1
InChIInChI=1S/C14H19ClN4O2/c1-3-6-16-11-5-4-10(15)13(17-11)14(21)19-8-7-18(2)12(20)9-19/h4-5H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyDPYZWZXXPYWZKK-UHFFFAOYSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one (CID 64694781) is 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one is CCCNc1ccc(Cl)c(C(=O)N2CCN(C)C(=O)C2)n1.
What is the InChIKey of 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is DPYZWZXXPYWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-3-6-16-11-5-4-10(15)13(17-11)14(21)19-8-7-18(2)12(20)9-19/h4-5H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one?
4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 310.79 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(propylamino)pyridine-2-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64694781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).