1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H21N3O3 — CID 82764495

IUPAC1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)7-3-4-12(15)17-14(21)18(2)10-11-5-8-16-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKQKQSDXQIGRFRA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds4

About 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82764495) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82764495
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)7-3-4-12(15)17-14(21)18(2)10-11-5-8-16-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKQKQSDXQIGRFRA-UHFFFAOYSA-N
XLogP1.87
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 82764495) is 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1ccncc1)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KQKQSDXQIGRFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20)7-3-4-12(15)17-14(21)18(2)10-11-5-8-16-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).