N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide

C14H18N4O2 — CID 86786687

IUPACN-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C#N)cn1)(C(N)=O)C(C)C
InChIInChI=1S/C14H18N4O2/c1-4-14(9(2)3,13(16)20)18-12(19)11-6-5-10(7-15)8-17-11/h5-6,8-9H,4H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyFFRSLXGJVVYQIK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.97
Rot. Bonds5

About N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide

N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide (PubChem CID 86786687) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
PubChem CID86786687
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide
SMILESCCC(NC(=O)c1ccc(C#N)cn1)(C(N)=O)C(C)C
InChIInChI=1S/C14H18N4O2/c1-4-14(9(2)3,13(16)20)18-12(19)11-6-5-10(7-15)8-17-11/h5-6,8-9H,4H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyFFRSLXGJVVYQIK-UHFFFAOYSA-N
XLogP0.97
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
N-(1-amino-2,3-dimethylbutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 115310434
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
N-(1-aminobutan-2-yl)-5-cyanopyridine-2-carboxamide
CID 65193453
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
3-[(5-cyanopyridine-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261170
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide (CID 86786687) is N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide is CCC(NC(=O)c1ccc(C#N)cn1)(C(N)=O)C(C)C.
What is the InChIKey of N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide?
The InChIKey is FFRSLXGJVVYQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-14(9(2)3,13(16)20)18-12(19)11-6-5-10(7-15)8-17-11/h5-6,8-9H,4H2,1-3H3,(H2,16,20)(H,18,19).
What are the key properties of N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide?
N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylpentan-3-yl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 86786687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).