N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide

C19H18N4O2 — CID 119050113

IUPACN-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-5-3-2-4-17(18)23-19(24)15-6-8-16(9-7-15)22-12-14-10-20-13-21-11-14/h2-11,13,22H,12H2,1H3,(H,23,24)
InChIKeyPRQGBTOTUFBADX-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.35
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide

N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide (PubChem CID 119050113) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
PubChem CID119050113
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-18-5-3-2-4-17(18)23-19(24)15-6-8-16(9-7-15)22-12-14-10-20-13-21-11-14/h2-11,13,22H,12H2,1H3,(H,23,24)
InChIKeyPRQGBTOTUFBADX-UHFFFAOYSA-N
XLogP3.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-(2-methoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 71922397
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
CID 78893033
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide (CID 119050113) is N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide is COc1ccccc1NC(=O)c1ccc(NCc2cncnc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide?
The InChIKey is PRQGBTOTUFBADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18-5-3-2-4-17(18)23-19(24)15-6-8-16(9-7-15)22-12-14-10-20-13-21-11-14/h2-11,13,22H,12H2,1H3,(H,23,24).
What are the key properties of N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide?
N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide is sourced from PubChem (CID 119050113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).