5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H21Cl2N5O2 — CID 55807381

IUPAC5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C19H21Cl2N5O2/c1-11(2)23-17(27)13-6-5-12(20)9-15(13)24-18(28)16-14(21)10-22-19(25-16)26-7-3-4-8-26/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyUOKQJPCFFPONAG-UHFFFAOYSA-N
MW422.32 g/mol
LogP3.77
Rot. Bonds5

About 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55807381) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55807381
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C19H21Cl2N5O2/c1-11(2)23-17(27)13-6-5-12(20)9-15(13)24-18(28)16-14(21)10-22-19(25-16)26-7-3-4-8-26/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyUOKQJPCFFPONAG-UHFFFAOYSA-N
XLogP3.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87028695
N-(4-carbamoyl-2-methylphenyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047164
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
5-chloro-N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 97011888
5-chloro-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777387
5-chloro-N-[1-(2,3-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 86968037
5-chloro-N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166201990
(2R,3S)-3-[(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 124697860
5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 94172656
4-bromo-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583096
5-chloro-N-methyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 78888212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55807381) is 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is UOKQJPCFFPONAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c1-11(2)23-17(27)13-6-5-12(20)9-15(13)24-18(28)16-14(21)10-22-19(25-16)26-7-3-4-8-26/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55807381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).