6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid

C14H21N3O3 — CID 62995104

IUPAC6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
SMILESCc1ccc(CNC(=O)NCCCCCC(=O)O)cn1
InChIInChI=1S/C14H21N3O3/c1-11-6-7-12(9-16-11)10-17-14(20)15-8-4-2-3-5-13(18)19/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyLQECJYGCRGOWRO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds8

About 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid

6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid (PubChem CID 62995104) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
PubChem CID62995104
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
SMILESCc1ccc(CNC(=O)NCCCCCC(=O)O)cn1
InChIInChI=1S/C14H21N3O3/c1-11-6-7-12(9-16-11)10-17-14(20)15-8-4-2-3-5-13(18)19/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyLQECJYGCRGOWRO-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
CID 63244412
3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
5-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114701436
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55139744

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid (CID 62995104) is 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid is Cc1ccc(CNC(=O)NCCCCCC(=O)O)cn1.
What is the InChIKey of 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is LQECJYGCRGOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-6-7-12(9-16-11)10-17-14(20)15-8-4-2-3-5-13(18)19/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H2,15,17,20).
What are the key properties of 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid?
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 62995104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).