N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide

C15H19N7O3 — CID 3375977

IUPACN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H19N7O3/c23-9-12(20-13(24)11-8-16-10-19-11)14(25)21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,8,10,12,23H,4-7,9H2,(H,16,19)(H,20,24)
InChIKeyWUGKSAFYGRMNHE-UHFFFAOYSA-N
MW345.36 g/mol
LogP-1.36
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 3375977) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID3375977
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC NameN-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H19N7O3/c23-9-12(20-13(24)11-8-16-10-19-11)14(25)21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,8,10,12,23H,4-7,9H2,(H,16,19)(H,20,24)
InChIKeyWUGKSAFYGRMNHE-UHFFFAOYSA-N
XLogP-1.36
TPSA127.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~-[(3S,4R)-4-(Hydroxymethyl)-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1-methyl-1H-imidazole-4-carboxamide
CID 110202514
1-(1H-imidazol-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56872030
2-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]-1,7-dihydropurin-6-one
CID 136003196
ethyl 3-[1H-imidazole-5-carbonyl(pyrimidin-4-yl)amino]propanoate
CID 141002179
N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-2-(pyrazin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 145441254
N-[3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
CID 3430614
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 4039151
N-[1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
CID 4103535
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-carboxamide
CID 4131293
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 4526327
N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 6722739
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
CID 6722758

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide (CID 3375977) is N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide is O=C(NC(CO)C(=O)N1CCN(c2ncccn2)CC1)c1cnc[nH]1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is WUGKSAFYGRMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c23-9-12(20-13(24)11-8-16-10-19-11)14(25)21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,8,10,12,23H,4-7,9H2,(H,16,19)(H,20,24).
What are the key properties of N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide?
N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 3375977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).