3-(6-methyl-3-pyridinyl)propylcarbamic acid

C10H14N2O2 — CID 118453961

IUPAC3-(6-methyl-3-pyridinyl)propylcarbamic acid
SMILESCc1ccc(CCCNC(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-8-4-5-9(7-12-8)3-2-6-11-10(13)14/h4-5,7,11H,2-3,6H2,1H3,(H,13,14)
InChIKeyOXFODPFYPXVWRX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds4

About 3-(6-methyl-3-pyridinyl)propylcarbamic acid

3-(6-methyl-3-pyridinyl)propylcarbamic acid (PubChem CID 118453961) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)propylcarbamic acid.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)propylcarbamic acid
PubChem CID118453961
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(6-methyl-3-pyridinyl)propylcarbamic acid
SMILESCc1ccc(CCCNC(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-8-4-5-9(7-12-8)3-2-6-11-10(13)14/h4-5,7,11H,2-3,6H2,1H3,(H,13,14)
InChIKeyOXFODPFYPXVWRX-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028
4-methyl-2-[3-(6-methyl-3-pyridinyl)propylamino]pentanoic acid
CID 122044126
4-methyl-2-[[3-(6-methyl-3-pyridinyl)propylamino]methyl]pentanoic acid
CID 122127950
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
4-[4-(4-oxopentyl)phenyl]butylcarbamic acid
CID 91326870
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
methyl 3-[3-(6-methyl-3-pyridinyl)propylamino]benzoate
CID 91649513
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine
CID 155323830
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)propylcarbamic acid?
The IUPAC name of 3-(6-methyl-3-pyridinyl)propylcarbamic acid (CID 118453961) is 3-(6-methyl-3-pyridinyl)propylcarbamic acid.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)propylcarbamic acid?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)propylcarbamic acid is Cc1ccc(CCCNC(=O)O)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)propylcarbamic acid?
The InChIKey is OXFODPFYPXVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-4-5-9(7-12-8)3-2-6-11-10(13)14/h4-5,7,11H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 3-(6-methyl-3-pyridinyl)propylcarbamic acid?
3-(6-methyl-3-pyridinyl)propylcarbamic acid has a molecular weight of 194.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)propylcarbamic acid is sourced from PubChem (CID 118453961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).