N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide

C17H19ClN4O2 — CID 21486829

IUPACN-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC1CCC(C)N1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C17H19ClN4O2/c1-11-3-4-12(2)22(11)17(23)20-13-5-7-14(8-6-13)24-15-9-10-19-16(18)21-15/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyICLDRWHXVNXJMY-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide

N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide (PubChem CID 21486829) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
PubChem CID21486829
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC1CCC(C)N1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C17H19ClN4O2/c1-11-3-4-12(2)22(11)17(23)20-13-5-7-14(8-6-13)24-15-9-10-19-16(18)21-15/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyICLDRWHXVNXJMY-UHFFFAOYSA-N
XLogP4.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-pyridin-4-ylpiperidine-1-carboxamide
CID 110706464
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
4-(4-tert-butylphenoxy)-2-chloropyrimidine
CID 55065851
2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
CID 159574787
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051
trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391446
(2S,5S)-N-(4-acetamido-2-chlorophenyl)-2,5-dimethylpyrrolidine-1-carboxamide
CID 129382087
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide (CID 21486829) is N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide is CC1CCC(C)N1C(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1.
What is the InChIKey of N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The InChIKey is ICLDRWHXVNXJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-3-4-12(2)22(11)17(23)20-13-5-7-14(8-6-13)24-15-9-10-19-16(18)21-15/h5-12H,3-4H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloropyrimidin-4-yl)oxyphenyl]-2,5-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 21486829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).