N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide

C18H25N3O3 — CID 45498148

IUPACN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2)cc(NC(=O)C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O3/c1-20-12-14(17(23)21-9-5-6-10-21)11-15(18(20)24)19-16(22)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,19,22)
InChIKeyQQSTXFMXGZZCJU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.14
Rot. Bonds3

About N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide

N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 45498148) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID45498148
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2)cc(NC(=O)C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O3/c1-20-12-14(17(23)21-9-5-6-10-21)11-15(18(20)24)19-16(22)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,19,22)
InChIKeyQQSTXFMXGZZCJU-UHFFFAOYSA-N
XLogP2.14
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide (CID 45498148) is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide is Cn1cc(C(=O)N2CCCC2)cc(NC(=O)C2CCCCC2)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is QQSTXFMXGZZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-12-14(17(23)21-9-5-6-10-21)11-15(18(20)24)19-16(22)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,19,22).
What are the key properties of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide?
N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 45498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).