N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide

C24H22N6O2 — CID 92619071

IUPACN-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C24H22N6O2/c1-25-24(32)20-16-27-22(17-7-3-2-4-8-17)29-21(20)11-13-26-23(31)18-9-5-10-19(15-18)30-14-6-12-28-30/h2-10,12,14-16H,11,13H2,1H3,(H,25,32)(H,26,31)
InChIKeyVMPJJWKXMZBGTQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.66
Rot. Bonds7

About N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide

N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide (PubChem CID 92619071) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide
PubChem CID92619071
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C24H22N6O2/c1-25-24(32)20-16-27-22(17-7-3-2-4-8-17)29-21(20)11-13-26-23(31)18-9-5-10-19(15-18)30-14-6-12-28-30/h2-10,12,14-16H,11,13H2,1H3,(H,25,32)(H,26,31)
InChIKeyVMPJJWKXMZBGTQ-UHFFFAOYSA-N
XLogP2.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531
N-methyl-4-[2-[[(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carbonyl]amino]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 92619131
3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
CID 70748016
N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 92619288
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide (CID 92619071) is N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide?
The InChIKey is VMPJJWKXMZBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-25-24(32)20-16-27-22(17-7-3-2-4-8-17)29-21(20)11-13-26-23(31)18-9-5-10-19(15-18)30-14-6-12-28-30/h2-10,12,14-16H,11,13H2,1H3,(H,25,32)(H,26,31).
What are the key properties of N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide?
N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-4-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92619071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).