6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide

C16H23N3O2 — CID 118761350

IUPAC6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2(CN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C16H23N3O2/c1-12-9-13(20)10-14(17-12)15(21)18-16(5-6-16)11-19-7-3-2-4-8-19/h9-10H,2-8,11H2,1H3,(H,17,20)(H,18,21)
InChIKeyIQEPRFIGSNSGKE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.43
Rot. Bonds4

About 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide

6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide (PubChem CID 118761350) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide
PubChem CID118761350
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2(CN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C16H23N3O2/c1-12-9-13(20)10-14(17-12)15(21)18-16(5-6-16)11-19-7-3-2-4-8-19/h9-10H,2-8,11H2,1H3,(H,17,20)(H,18,21)
InChIKeyIQEPRFIGSNSGKE-UHFFFAOYSA-N
XLogP1.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide (CID 118761350) is 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2(CN3CCCCC3)CC2)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The InChIKey is IQEPRFIGSNSGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-9-13(20)10-14(17-12)15(21)18-16(5-6-16)11-19-7-3-2-4-8-19/h9-10H,2-8,11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(piperidin-1-ylmethyl)cyclopropyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118761350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).