N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide

C21H19ClN4O4 — CID 90759410

IUPACN-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)CNC(=O)c3cncnc3)cc2)c(Cl)c1
InChIInChI=1S/C21H19ClN4O4/c1-29-17-6-7-19(18(22)8-17)30-16-4-2-14(3-5-16)9-25-20(27)12-26-21(28)15-10-23-13-24-11-15/h2-8,10-11,13H,9,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyMGIVSTNFHAMJTL-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.98
Rot. Bonds8

About N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide

N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide (PubChem CID 90759410) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide
PubChem CID90759410
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)CNC(=O)c3cncnc3)cc2)c(Cl)c1
InChIInChI=1S/C21H19ClN4O4/c1-29-17-6-7-19(18(22)8-17)30-16-4-2-14(3-5-16)9-25-20(27)12-26-21(28)15-10-23-13-24-11-15/h2-8,10-11,13H,9,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyMGIVSTNFHAMJTL-UHFFFAOYSA-N
XLogP2.98
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-4-oxo-3-(pyrimidine-5-carbonylamino)butanoate
CID 75251544
N-[(2S)-6-amino-1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-1-oxohexan-2-yl]pyrimidine-5-carboxamide
CID 70846518
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821
4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide
CID 46911102
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]pyrimidine-5-carboxamide
CID 70846528
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
[3-amino-4-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-4-oxobutyl]carbamic acid
CID 67534990
N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylamino]-2-methyl-4-methylsulfanyl-1-oxobutan-2-yl]pyrimidine-5-carboxamide
CID 70846520
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide (CID 90759410) is N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide is COc1ccc(Oc2ccc(CNC(=O)CNC(=O)c3cncnc3)cc2)c(Cl)c1.
What is the InChIKey of N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide?
The InChIKey is MGIVSTNFHAMJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-29-17-6-7-19(18(22)8-17)30-16-4-2-14(3-5-16)9-25-20(27)12-26-21(28)15-10-23-13-24-11-15/h2-8,10-11,13H,9,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide?
N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90759410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).