N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide

C12H19N3O — CID 60852882

IUPACN-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
SMILESCC(C)NCCC(=O)N(C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-10(2)13-9-7-12(16)15(3)11-6-4-5-8-14-11/h4-6,8,10,13H,7,9H2,1-3H3
InChIKeyVMMFPWKMMSDFNV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide

N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide (PubChem CID 60852882) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
PubChem CID60852882
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide
SMILESCC(C)NCCC(=O)N(C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-10(2)13-9-7-12(16)15(3)11-6-4-5-8-14-11/h4-6,8,10,13H,7,9H2,1-3H3
InChIKeyVMMFPWKMMSDFNV-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-methyl-N-pyridin-2-ylpropanamide
CID 60843331
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N,2-dimethyl-3-(methylamino)-N-pyridin-2-ylpropanamide
CID 79196155
(2S)-N,2,4-trimethyl-N-pyridin-2-ylpent-4-enamide
CID 124618003
2-(cyclohexylmethylamino)-N-methyl-N-pyridin-2-ylacetamide
CID 101057675
(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
CID 124593925
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
(2R)-2-amino-N-methyl-2-phenyl-N-pyridin-2-ylacetamide
CID 61148028

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide (CID 60852882) is N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide is CC(C)NCCC(=O)N(C)c1ccccn1.
What is the InChIKey of N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide?
The InChIKey is VMMFPWKMMSDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(2)13-9-7-12(16)15(3)11-6-4-5-8-14-11/h4-6,8,10,13H,7,9H2,1-3H3.
What are the key properties of N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide?
N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylamino)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 60852882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).