N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C19H17ClN4O2 — CID 109257933

IUPACN-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-3-2-5-13(17)10-21-19-22-11-14(12-23-19)18(25)24-16-7-4-6-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyFBHGOMPQLGZWLL-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109257933) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109257933
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-3-2-5-13(17)10-21-19-22-11-14(12-23-19)18(25)24-16-7-4-6-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyFBHGOMPQLGZWLL-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257950
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(4-chloro-2-methylphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190315
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109257933) is N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccccc1CNc1ncc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is FBHGOMPQLGZWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-17-8-3-2-5-13(17)10-21-19-22-11-14(12-23-19)18(25)24-16-7-4-6-15(20)9-16/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).