6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid

C14H21N3O3 — CID 114765426

IUPAC6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
SMILESCc1cc(C(N)=O)cc(NCCC(C)CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(3-4-13(18)19)5-6-16-12-8-11(14(15)20)7-10(2)17-12/h7-9H,3-6H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyUFADTBVOPONXMJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.79
Rot. Bonds8

About 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid

6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid (PubChem CID 114765426) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
PubChem CID114765426
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid
SMILESCc1cc(C(N)=O)cc(NCCC(C)CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-9(3-4-13(18)19)5-6-16-12-8-11(14(15)20)7-10(2)17-12/h7-9H,3-6H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyUFADTBVOPONXMJ-UHFFFAOYSA-N
XLogP1.79
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid (CID 114765426) is 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid is Cc1cc(C(N)=O)cc(NCCC(C)CCC(=O)O)n1.
What is the InChIKey of 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid?
The InChIKey is UFADTBVOPONXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(3-4-13(18)19)5-6-16-12-8-11(14(15)20)7-10(2)17-12/h7-9H,3-6H2,1-2H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid?
6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 114765426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).