1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H14ClN3O3 — CID 122094446

IUPAC1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(Cl)cncc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H14ClN3O3/c1-7-9(13)4-14-5-10(7)15-12(19)16-3-2-8(6-16)11(17)18/h4-5,8H,2-3,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyNSIHKMWCDDIRCO-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.98
Rot. Bonds2

About 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122094446) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122094446
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1c(Cl)cncc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H14ClN3O3/c1-7-9(13)4-14-5-10(7)15-12(19)16-3-2-8(6-16)11(17)18/h4-5,8H,2-3,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyNSIHKMWCDDIRCO-UHFFFAOYSA-N
XLogP1.98
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
1-[(2-bromo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82766636
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
(3S)-1-[(4-chloro-3-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468803
(3R)-1-[(4-chloro-3-methylsulfonylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468802
1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042
1-[(3-iodo-5-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093344
1-[[5-chloro-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093315

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122094446) is 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1c(Cl)cncc1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NSIHKMWCDDIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-7-9(13)4-14-5-10(7)15-12(19)16-3-2-8(6-16)11(17)18/h4-5,8H,2-3,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122094446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).