3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid

C10H10N2O2 — CID 166722069

IUPAC3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid
SMILESCc1ccncc1C#CCNC(=O)O
InChIInChI=1S/C10H10N2O2/c1-8-4-6-11-7-9(8)3-2-5-12-10(13)14/h4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyQRMVITSOIKHPSQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.01
Rot. Bonds1

About 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid

3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid (PubChem CID 166722069) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid
PubChem CID166722069
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid
SMILESCc1ccncc1C#CCNC(=O)O
InChIInChI=1S/C10H10N2O2/c1-8-4-6-11-7-9(8)3-2-5-12-10(13)14/h4,6-7,12H,5H2,1H3,(H,13,14)
InChIKeyQRMVITSOIKHPSQ-UHFFFAOYSA-N
XLogP1.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(4-pyrimidin-5-yl-3-pyridinyl)prop-2-ynyl]carbamate
CID 151276183
1-(4-methyl-3-pyridinyl)pent-1-yn-3-amine
CID 106225856
tert-butyl N-[3-[4-(furan-3-yl)-3-pyridinyl]prop-2-ynyl]carbamate
CID 150794134
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
2-(3-aminoprop-1-ynyl)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701688
butane;ethane;4-methylpyridine-3-carbonitrile
CID 171848081
methyl 3-(4-chlorobut-1-ynyl)pyridine-4-carboxylate
CID 170468167
2-amino-N-[3-(2,5-dimethylphenyl)prop-2-ynyl]acetamide
CID 114777662
2-(3-aminoprop-1-ynyl)-5-methyl-N-(4-methyl-3-pyridinyl)benzamide
CID 81112518

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid?
The IUPAC name of 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid (CID 166722069) is 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid is Cc1ccncc1C#CCNC(=O)O.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid?
The InChIKey is QRMVITSOIKHPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-4-6-11-7-9(8)3-2-5-12-10(13)14/h4,6-7,12H,5H2,1H3,(H,13,14).
What are the key properties of 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid?
3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)prop-2-ynylcarbamic acid is sourced from PubChem (CID 166722069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).