N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide

C22H23N5O2 — CID 58205178

IUPACN-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
SMILESCCCCNc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-2-3-14-23-18-15-19(24-20(28)16-10-6-4-7-11-16)26-22(25-18)27-21(29)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H3,23,24,25,26,27,28,29)
InChIKeyKIMLAULXMKPCKK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.19
Rot. Bonds8

About N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide

N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide (PubChem CID 58205178) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
PubChem CID58205178
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
SMILESCCCCNc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-2-3-14-23-18-15-19(24-20(28)16-10-6-4-7-11-16)26-22(25-18)27-21(29)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H3,23,24,25,26,27,28,29)
InChIKeyKIMLAULXMKPCKK-UHFFFAOYSA-N
XLogP4.19
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide 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

N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
CID 58205143
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113038336
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445

Frequently Asked Questions

What is the IUPAC name of N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide (CID 58205178) is N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide is CCCCNc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide?
The InChIKey is KIMLAULXMKPCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-3-14-23-18-15-19(24-20(28)16-10-6-4-7-11-16)26-22(25-18)27-21(29)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H3,23,24,25,26,27,28,29).
What are the key properties of N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide?
N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 58205178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).