N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide

C20H19N5O2 — CID 39575052

IUPACN-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-7-2-5-15(11-17)13-23-19(27)16-6-3-8-18(12-16)25-20-21-9-4-10-22-20/h2-12H,13H2,1H3,(H,23,27)(H,24,26)(H,21,22,25)
InChIKeyRUAJNCBDFYUMOX-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide

N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 39575052) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
PubChem CID39575052
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-7-2-5-15(11-17)13-23-19(27)16-6-3-8-18(12-16)25-20-21-9-4-10-22-20/h2-12H,13H2,1H3,(H,23,27)(H,24,26)(H,21,22,25)
InChIKeyRUAJNCBDFYUMOX-UHFFFAOYSA-N
XLogP3.11
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
ethyl (E)-3-[3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]phenyl]prop-2-enoate
CID 70111029
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
N-[3-[[(pyrimidin-2-ylamino)carbamoylamino]methyl]phenyl]acetamide
CID 71893363
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide (CID 39575052) is N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide is CC(=O)Nc1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is RUAJNCBDFYUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-17-7-2-5-15(11-17)13-23-19(27)16-6-3-8-18(12-16)25-20-21-9-4-10-22-20/h2-12H,13H2,1H3,(H,23,27)(H,24,26)(H,21,22,25).
What are the key properties of N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide?
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 361.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 39575052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).