2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid

C15H23N3O3 — CID 65289685

IUPAC2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-11(14(19)20)6-5-7-12(2)18-15(21)17-10-13-8-3-4-9-16-13/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyBLDAYNSRVWYGAU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.16
Rot. Bonds8

About 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid

2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid (PubChem CID 65289685) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
PubChem CID65289685
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-11(14(19)20)6-5-7-12(2)18-15(21)17-10-13-8-3-4-9-16-13/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyBLDAYNSRVWYGAU-UHFFFAOYSA-N
XLogP2.16
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 65287409
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
2-methyl-6-(1H-pyrazol-4-ylmethylcarbamoylamino)heptanoic acid
CID 65287655
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
3-[(pyridin-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81073177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid (CID 65289685) is 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
The InChIKey is BLDAYNSRVWYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(14(19)20)6-5-7-12(2)18-15(21)17-10-13-8-3-4-9-16-13/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid?
2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 65289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).