3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide

C16H21N7O — CID 82034862

IUPAC3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
SMILESNCCC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H21N7O/c17-5-4-15(24)21-14-3-2-13(12-20-14)22-8-10-23(11-9-22)16-18-6-1-7-19-16/h1-3,6-7,12H,4-5,8-11,17H2,(H,20,21,24)
InChIKeyNBIYAJIYTGFCMZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.49
Rot. Bonds5

About 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide

3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide (PubChem CID 82034862) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
PubChem CID82034862
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
SMILESNCCC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H21N7O/c17-5-4-15(24)21-14-3-2-13(12-20-14)22-8-10-23(11-9-22)16-18-6-1-7-19-16/h1-3,6-7,12H,4-5,8-11,17H2,(H,20,21,24)
InChIKeyNBIYAJIYTGFCMZ-UHFFFAOYSA-N
XLogP0.49
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
4-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]butanamide
CID 82034911
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
4-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187652
2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119494266
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The IUPAC name of 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide (CID 82034862) is 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide is NCCC(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The InChIKey is NBIYAJIYTGFCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c17-5-4-15(24)21-14-3-2-13(12-20-14)22-8-10-23(11-9-22)16-18-6-1-7-19-16/h1-3,6-7,12H,4-5,8-11,17H2,(H,20,21,24).
What are the key properties of 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide has a molecular weight of 327.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 82034862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).