N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide

C19H17N5O2 — CID 31861938

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1
InChIInChI=1S/C19H17N5O2/c20-17(25)11-13-5-7-15(8-6-13)23-18(26)14-3-1-4-16(12-14)24-19-21-9-2-10-22-19/h1-10,12H,11H2,(H2,20,25)(H,23,26)(H,21,22,24)
InChIKeyVPGJJRCKGQTOSL-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 31861938) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
PubChem CID31861938
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1
InChIInChI=1S/C19H17N5O2/c20-17(25)11-13-5-7-15(8-6-13)23-18(26)14-3-1-4-16(12-14)24-19-21-9-2-10-22-19/h1-10,12H,11H2,(H2,20,25)(H,23,26)(H,21,22,24)
InChIKeyVPGJJRCKGQTOSL-UHFFFAOYSA-N
XLogP2.50
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
ethane;N-ethylethanamine;N-[3-(pyrimidin-2-ylamino)phenyl]benzamide
CID 91174490
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
CID 35439149
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-bromobenzamide
CID 62301577
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide (CID 31861938) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide is NC(=O)Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is VPGJJRCKGQTOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-17(25)11-13-5-7-15(8-6-13)23-18(26)14-3-1-4-16(12-14)24-19-21-9-2-10-22-19/h1-10,12H,11H2,(H2,20,25)(H,23,26)(H,21,22,24).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 31861938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).