N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide

C18H26N4O3 — CID 56906884

IUPACN-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCCc1c(C)cc(C(=O)N2CCNCC2C(=O)NC2CC2)c(=O)n1C
InChIInChI=1S/C18H26N4O3/c1-4-14-11(2)9-13(17(24)21(14)3)18(25)22-8-7-19-10-15(22)16(23)20-12-5-6-12/h9,12,15,19H,4-8,10H2,1-3H3,(H,20,23)
InChIKeyDLEQHRZQWKNBBR-UHFFFAOYSA-N
MW346.43 g/mol
LogP-0.05
Rot. Bonds4

About N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide

N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide (PubChem CID 56906884) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide
PubChem CID56906884
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide
SMILESCCc1c(C)cc(C(=O)N2CCNCC2C(=O)NC2CC2)c(=O)n1C
InChIInChI=1S/C18H26N4O3/c1-4-14-11(2)9-13(17(24)21(14)3)18(25)22-8-7-19-10-15(22)16(23)20-12-5-6-12/h9,12,15,19H,4-8,10H2,1-3H3,(H,20,23)
InChIKeyDLEQHRZQWKNBBR-UHFFFAOYSA-N
XLogP-0.05
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide (CID 56906884) is N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide is CCc1c(C)cc(C(=O)N2CCNCC2C(=O)NC2CC2)c(=O)n1C.
What is the InChIKey of N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is DLEQHRZQWKNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-14-11(2)9-13(17(24)21(14)3)18(25)22-8-7-19-10-15(22)16(23)20-12-5-6-12/h9,12,15,19H,4-8,10H2,1-3H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide?
N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 56906884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).