N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H33N5O — CID 119597610

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)14-19(3,15-20)22-18(25)7-9-23-10-12-24(13-11-23)17-6-4-5-8-21-17/h4-6,8,16H,7,9-15,20H2,1-3H3,(H,22,25)
InChIKeyFWTVEQCRJULXTQ-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.47
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 119597610) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID119597610
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H33N5O/c1-16(2)14-19(3,15-20)22-18(25)7-9-23-10-12-24(13-11-23)17-6-4-5-8-21-17/h4-6,8,16H,7,9-15,20H2,1-3H3,(H,22,25)
InChIKeyFWTVEQCRJULXTQ-UHFFFAOYSA-N
XLogP1.47
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119605702
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
CID 119598214
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-[4-(dimethylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 6259677
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 119597610) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C)CC(C)(CN)NC(=O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is FWTVEQCRJULXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16(2)14-19(3,15-20)22-18(25)7-9-23-10-12-24(13-11-23)17-6-4-5-8-21-17/h4-6,8,16H,7,9-15,20H2,1-3H3,(H,22,25).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 347.51 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 119597610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).