N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide

C21H19ClN4O3 — CID 70702238

IUPACN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ncccn2)c1
InChIInChI=1S/C21H19ClN4O3/c1-26(21(28)14-6-3-8-16(12-14)29-2)13-15-7-4-9-17(22)18(15)25-20(27)19-23-10-5-11-24-19/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyYOBNACUEPSHIKL-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.66
Rot. Bonds6

About N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide

N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide (PubChem CID 70702238) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide
PubChem CID70702238
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ncccn2)c1
InChIInChI=1S/C21H19ClN4O3/c1-26(21(28)14-6-3-8-16(12-14)29-2)13-15-7-4-9-17(22)18(15)25-20(27)19-23-10-5-11-24-19/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyYOBNACUEPSHIKL-UHFFFAOYSA-N
XLogP3.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 66553142
N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 70702231
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
N-[2-[[benzenesulfonyl(methyl)amino]methyl]-6-chlorophenyl]pyridine-2-carboxamide
CID 70702246

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide (CID 70702238) is N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide is COc1cccc(C(=O)N(C)Cc2cccc(Cl)c2NC(=O)c2ncccn2)c1.
What is the InChIKey of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide?
The InChIKey is YOBNACUEPSHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-26(21(28)14-6-3-8-16(12-14)29-2)13-15-7-4-9-17(22)18(15)25-20(27)19-23-10-5-11-24-19/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide?
N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 70702238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).