N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide

C23H23N5O4 — CID 91816344

IUPACN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C23H23N5O4/c1-16(29)28-19-9-7-18(8-10-19)22(30)24-11-12-25-23(31)20-13-21(27-15-26-20)32-14-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,24,30)(H,25,31)(H,28,29)
InChIKeyQQBQWPMDRVYOCH-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.17
Rot. Bonds9

About N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide

N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 91816344) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID91816344
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(OCc3ccccc3)ncn2)cc1
InChIInChI=1S/C23H23N5O4/c1-16(29)28-19-9-7-18(8-10-19)22(30)24-11-12-25-23(31)20-13-21(27-15-26-20)32-14-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,24,30)(H,25,31)(H,28,29)
InChIKeyQQBQWPMDRVYOCH-UHFFFAOYSA-N
XLogP2.17
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167899
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
CID 90509701
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide (CID 91816344) is N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide is CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(OCc3ccccc3)ncn2)cc1.
What is the InChIKey of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is QQBQWPMDRVYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-16(29)28-19-9-7-18(8-10-19)22(30)24-11-12-25-23(31)20-13-21(27-15-26-20)32-14-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H,24,30)(H,25,31)(H,28,29).
What are the key properties of N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide?
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91816344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).