3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C16H20N6O — CID 175942019

IUPAC3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESNC(=O)C(Cc1ccccn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c17-15(23)14(12-13-4-1-2-5-18-13)21-8-10-22(11-9-21)16-19-6-3-7-20-16/h1-7,14H,8-12H2,(H2,17,23)
InChIKeyNDXAMNDDXWZQBV-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.09
Rot. Bonds5

About 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 175942019) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID175942019
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESNC(=O)C(Cc1ccccn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20N6O/c17-15(23)14(12-13-4-1-2-5-18-13)21-8-10-22(11-9-21)16-19-6-3-7-20-16/h1-7,14H,8-12H2,(H2,17,23)
InChIKeyNDXAMNDDXWZQBV-UHFFFAOYSA-N
XLogP0.09
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-[4-(difluoromethylidene)piperidin-1-yl]-3-oxo-2-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 141042021
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
1-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062124
[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109258694
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 175942019) is 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is NC(=O)C(Cc1ccccn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is NDXAMNDDXWZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c17-15(23)14(12-13-4-1-2-5-18-13)21-8-10-22(11-9-21)16-19-6-3-7-20-16/h1-7,14H,8-12H2,(H2,17,23).
What are the key properties of 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 312.38 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 175942019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).