2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide

C17H22N4O3 — CID 154799962

IUPAC2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(N(C)C(=O)c2ccnc(NC(=O)C3CC3)c2)CCC1=O
InChIInChI=1S/C17H22N4O3/c1-20-10-13(5-6-15(20)22)21(2)17(24)12-7-8-18-14(9-12)19-16(23)11-3-4-11/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19,23)
InChIKeyAJKZVIBCPZDLHC-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.12
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 154799962) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
PubChem CID154799962
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CC(N(C)C(=O)c2ccnc(NC(=O)C3CC3)c2)CCC1=O
InChIInChI=1S/C17H22N4O3/c1-20-10-13(5-6-15(20)22)21(2)17(24)12-7-8-18-14(9-12)19-16(23)11-3-4-11/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19,23)
InChIKeyAJKZVIBCPZDLHC-UHFFFAOYSA-N
XLogP1.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide (CID 154799962) is 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is CN1CC(N(C)C(=O)c2ccnc(NC(=O)C3CC3)c2)CCC1=O.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is AJKZVIBCPZDLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-10-13(5-6-15(20)22)21(2)17(24)12-7-8-18-14(9-12)19-16(23)11-3-4-11/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,19,23).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 154799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).