N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide

C23H24ClN5O2 — CID 88848682

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide
SMILESC=c1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn(-c2ncccn2)c1=C
InChIInChI=1S/C23H24ClN5O2/c1-16-17(2)29(23-25-8-3-9-26-23)15-20(16)22(30)27-14-21(28-10-12-31-13-11-28)18-4-6-19(24)7-5-18/h3-9,15,21H,1-2,10-14H2,(H,27,30)
InChIKeySOEGCXMBVAKMPB-UHFFFAOYSA-N
MW437.93 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide (PubChem CID 88848682) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide
PubChem CID88848682
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide
SMILESC=c1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn(-c2ncccn2)c1=C
InChIInChI=1S/C23H24ClN5O2/c1-16-17(2)29(23-25-8-3-9-26-23)15-20(16)22(30)27-14-21(28-10-12-31-13-11-28)18-4-6-19(24)7-5-18/h3-9,15,21H,1-2,10-14H2,(H,27,30)
InChIKeySOEGCXMBVAKMPB-UHFFFAOYSA-N
XLogP1.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69083928
3-chloro-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 25268697
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
CID 60597091
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 59580023
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide (CID 88848682) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide is C=c1c(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)cn(-c2ncccn2)c1=C.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide?
The InChIKey is SOEGCXMBVAKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-16-17(2)29(23-25-8-3-9-26-23)15-20(16)22(30)27-14-21(28-10-12-31-13-11-28)18-4-6-19(24)7-5-18/h3-9,15,21H,1-2,10-14H2,(H,27,30).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylidene-1-pyrimidin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 88848682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).