2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C15H25N5O — CID 43462186

IUPAC2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)18-15(21)12(3)19-7-9-20(10-8-19)14-13(16)5-4-6-17-14/h4-6,11-12H,7-10,16H2,1-3H3,(H,18,21)
InChIKeyMCBIKACMOQNXFZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.70
Rot. Bonds4

About 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 43462186) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID43462186
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)18-15(21)12(3)19-7-9-20(10-8-19)14-13(16)5-4-6-17-14/h4-6,11-12H,7-10,16H2,1-3H3,(H,18,21)
InChIKeyMCBIKACMOQNXFZ-UHFFFAOYSA-N
XLogP0.70
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
CID 155975244
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75371288
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylpropanamide
CID 61015189
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 43462186) is 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is MCBIKACMOQNXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)18-15(21)12(3)19-7-9-20(10-8-19)14-13(16)5-4-6-17-14/h4-6,11-12H,7-10,16H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 43462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).