1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid

C15H21N3O3 — CID 81155694

IUPAC1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(Cc1cccc(C)n1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-3-18(10-12-7-4-6-11(2)16-12)14(21)17-15(13(19)20)8-5-9-15/h4,6-7H,3,5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyOWOKFADOCQIPFS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds5

About 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid

1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81155694) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81155694
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid
SMILESCCN(Cc1cccc(C)n1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C15H21N3O3/c1-3-18(10-12-7-4-6-11(2)16-12)14(21)17-15(13(19)20)8-5-9-15/h4,6-7H,3,5,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyOWOKFADOCQIPFS-UHFFFAOYSA-N
XLogP1.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-hydroxypropanoic acid
CID 107840515
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
3-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106110338
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-propan-2-ylthiourea
CID 113254044
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
2-(azetidin-3-ylidene)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 116678469
4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 63691822

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid (CID 81155694) is 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid is CCN(Cc1cccc(C)n1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is OWOKFADOCQIPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-18(10-12-7-4-6-11(2)16-12)14(21)17-15(13(19)20)8-5-9-15/h4,6-7H,3,5,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid?
1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81155694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).