1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C21H24ClN5O3 — CID 55777834

IUPAC1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C21H24ClN5O3/c1-30-15-8-6-14(7-9-15)24-19(28)17-5-4-12-27(17)20(29)18-16(22)13-23-21(25-18)26-10-2-3-11-26/h6-9,13,17H,2-5,10-12H2,1H3,(H,24,28)
InChIKeyXJRVZGXMJXNHTR-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.98
Rot. Bonds5

About 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 55777834) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID55777834
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C21H24ClN5O3/c1-30-15-8-6-14(7-9-15)24-19(28)17-5-4-12-27(17)20(29)18-16(22)13-23-21(25-18)26-10-2-3-11-26/h6-9,13,17H,2-5,10-12H2,1H3,(H,24,28)
InChIKeyXJRVZGXMJXNHTR-UHFFFAOYSA-N
XLogP2.98
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
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CID 129159159
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
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CID 55872290
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 52512688
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
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(2S)-1-(3,5-dichlorobenzoyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 35702321
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
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N-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 55777834) is 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)c2nc(N3CCCC3)ncc2Cl)cc1.
What is the InChIKey of 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XJRVZGXMJXNHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-30-15-8-6-14(7-9-15)24-19(28)17-5-4-12-27(17)20(29)18-16(22)13-23-21(25-18)26-10-2-3-11-26/h6-9,13,17H,2-5,10-12H2,1H3,(H,24,28).
What are the key properties of 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55777834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).