N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide

C12H17N3O2 — CID 114039801

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
SMILESCN(C(=O)c1cc[nH]c(=O)c1)C(CN)C1CC1
InChIInChI=1S/C12H17N3O2/c1-15(10(7-13)8-2-3-8)12(17)9-4-5-14-11(16)6-9/h4-6,8,10H,2-3,7,13H2,1H3,(H,14,16)
InChIKeyOHYUMGCPTANOBC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.18
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114039801) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114039801
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
SMILESCN(C(=O)c1cc[nH]c(=O)c1)C(CN)C1CC1
InChIInChI=1S/C12H17N3O2/c1-15(10(7-13)8-2-3-8)12(17)9-4-5-14-11(16)6-9/h4-6,8,10H,2-3,7,13H2,1H3,(H,14,16)
InChIKeyOHYUMGCPTANOBC-UHFFFAOYSA-N
XLogP0.18
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide (CID 114039801) is N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide is CN(C(=O)c1cc[nH]c(=O)c1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is OHYUMGCPTANOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(10(7-13)8-2-3-8)12(17)9-4-5-14-11(16)6-9/h4-6,8,10H,2-3,7,13H2,1H3,(H,14,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114039801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).