N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide

C12H15N3O2 — CID 103758621

IUPACN-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CC#N)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(2)15(7-5-13)12(17)10-4-6-14(3)11(16)8-10/h4,6,8-9H,7H2,1-3H3
InChIKeyITFIKFAHVHXDCI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.76
Rot. Bonds3

About N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide

N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 103758621) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
PubChem CID103758621
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CC#N)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(2)15(7-5-13)12(17)10-4-6-14(3)11(16)8-10/h4,6,8-9H,7H2,1-3H3
InChIKeyITFIKFAHVHXDCI-UHFFFAOYSA-N
XLogP0.76
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
CID 54941998
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 55123665
N-(cyanomethyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 103957506
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
CID 63651571
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184
3-chloro-N-(cyanomethyl)-4-nitro-N-propan-2-ylbenzamide
CID 103873332
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
5,6-dichloro-N-(cyanomethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 103758627

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide (CID 103758621) is N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(CC#N)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is ITFIKFAHVHXDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2)15(7-5-13)12(17)10-4-6-14(3)11(16)8-10/h4,6,8-9H,7H2,1-3H3.
What are the key properties of N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide?
N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 103758621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).