N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide

C12H19N3O — CID 115889935

IUPACN-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide
SMILESCNC(=O)CCNC(C)Cc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(15-8-5-12(16)13-2)9-11-3-6-14-7-4-11/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,13,16)
InChIKeyDPSVJBNLIJHBAG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.74
Rot. Bonds6

About N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide

N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide (PubChem CID 115889935) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide
PubChem CID115889935
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide
SMILESCNC(=O)CCNC(C)Cc1ccncc1
InChIInChI=1S/C12H19N3O/c1-10(15-8-5-12(16)13-2)9-11-3-6-14-7-4-11/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,13,16)
InChIKeyDPSVJBNLIJHBAG-UHFFFAOYSA-N
XLogP0.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-(2-cyclopropylethyl)-1-pyridin-4-ylpropan-2-amine
CID 115892089
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
N-methyl-1-(4-pyridin-4-ylphenyl)propan-2-amine
CID 82540626
N-tert-butyl-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115889425
3-(hex-5-en-2-ylamino)-N-methylpropanamide
CID 104581947
N-methyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60711939
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide (CID 115889935) is N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide is CNC(=O)CCNC(C)Cc1ccncc1.
What is the InChIKey of N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide?
The InChIKey is DPSVJBNLIJHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(15-8-5-12(16)13-2)9-11-3-6-14-7-4-11/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide?
N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-pyridin-4-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 115889935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).