N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide

C12H17N3O — CID 115268625

IUPACN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C12H17N3O/c1-8(2)12(16)15-10-5-6-11(13-7-10)14-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVKTSAORDFIWGSV-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.25
Rot. Bonds4

About N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide

N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide (PubChem CID 115268625) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
PubChem CID115268625
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CC2)nc1
InChIInChI=1S/C12H17N3O/c1-8(2)12(16)15-10-5-6-11(13-7-10)14-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVKTSAORDFIWGSV-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
CID 113016947
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
N-[6-(cyclopentylamino)-3-pyridinyl]butanamide
CID 113009849
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide (CID 115268625) is N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC2CC2)nc1.
What is the InChIKey of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is VKTSAORDFIWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)12(16)15-10-5-6-11(13-7-10)14-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide?
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 219.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 115268625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).