N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide

C17H25N3O2 — CID 3515437

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C17H25N3O2/c1-4-17(2,16(22)19-13-9-5-6-10-13)20(3)15(21)14-11-7-8-12-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyPPZMTRJMOOTVMR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 3515437) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID3515437
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccccn1
InChIInChI=1S/C17H25N3O2/c1-4-17(2,16(22)19-13-9-5-6-10-13)20(3)15(21)14-11-7-8-12-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,19,22)
InChIKeyPPZMTRJMOOTVMR-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide (CID 3515437) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide is CCC(C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccccn1.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is PPZMTRJMOOTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-17(2,16(22)19-13-9-5-6-10-13)20(3)15(21)14-11-7-8-12-18-14/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 3515437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).