N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

C22H23N5O2 — CID 108797262

IUPACN-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCCCNC=O)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-16-25-20(17-7-3-2-4-8-17)14-21(26-16)27-19-10-5-9-18(13-19)22(29)24-12-6-11-23-15-28/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,26,27)
InChIKeyBIZOVDAJWCVNBS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds9

About N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 108797262) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID108797262
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCCCNC=O)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-16-25-20(17-7-3-2-4-8-17)14-21(26-16)27-19-10-5-9-18(13-19)22(29)24-12-6-11-23-15-28/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,26,27)
InChIKeyBIZOVDAJWCVNBS-UHFFFAOYSA-N
XLogP3.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
N-[(2-chlorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797150
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 108797154
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (CID 108797262) is N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is Cc1nc(Nc2cccc(C(=O)NCCCNC=O)c2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is BIZOVDAJWCVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-25-20(17-7-3-2-4-8-17)14-21(26-16)27-19-10-5-9-18(13-19)22(29)24-12-6-11-23-15-28/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,26,27).
What are the key properties of N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 108797262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).