N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide

C20H18N4O2 — CID 47781848

IUPACN-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCNC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-19(16-9-5-2-6-10-16)21-11-12-22-20(26)17-13-23-18(24-14-17)15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyFRBAJGKOAYDBLS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.30
Rot. Bonds6

About N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide

N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 47781848) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID47781848
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCNC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c25-19(16-9-5-2-6-10-16)21-11-12-22-20(26)17-13-23-18(24-14-17)15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26)
InChIKeyFRBAJGKOAYDBLS-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-(2-diethoxyphosphorylethyl)-2-phenylpyrimidine-5-carboxamide
CID 59805822
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide (CID 47781848) is N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide is O=C(NCCNC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is FRBAJGKOAYDBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19(16-9-5-2-6-10-16)21-11-12-22-20(26)17-13-23-18(24-14-17)15-7-3-1-4-8-15/h1-10,13-14H,11-12H2,(H,21,25)(H,22,26).
What are the key properties of N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide?
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47781848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).