5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C20H19ClN4O — CID 55770857

IUPAC5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H19ClN4O/c1-24(16-9-8-14-6-2-3-7-15(14)12-16)19(26)18-17(21)13-22-20(23-18)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11H2,1H3
InChIKeyLJSGMLGBNWAZPS-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.16
Rot. Bonds3

About 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55770857) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55770857
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C20H19ClN4O/c1-24(16-9-8-14-6-2-3-7-15(14)12-16)19(26)18-17(21)13-22-20(23-18)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11H2,1H3
InChIKeyLJSGMLGBNWAZPS-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-phenyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87037741
5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 78888212
5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
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2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
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5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55833945
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347582
5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138993580
2-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195202
4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047386
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
CID 94468049

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55770857) is 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CN(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is LJSGMLGBNWAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-24(16-9-8-14-6-2-3-7-15(14)12-16)19(26)18-17(21)13-22-20(23-18)25-10-4-5-11-25/h2-3,6-9,12-13H,4-5,10-11H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-naphthalen-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).