[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate

C14H16N4O3 — CID 175276491

IUPAC[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
SMILESCn1cc(C(C)(C)C(=O)c2ccc(OC(N)=O)cn2)cn1
InChIInChI=1S/C14H16N4O3/c1-14(2,9-6-17-18(3)8-9)12(19)11-5-4-10(7-16-11)21-13(15)20/h4-8H,1-3H3,(H2,15,20)
InChIKeyYDPPPVUPJFNLDD-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.43
Rot. Bonds4

About [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate

[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate (PubChem CID 175276491) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
PubChem CID175276491
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate
SMILESCn1cc(C(C)(C)C(=O)c2ccc(OC(N)=O)cn2)cn1
InChIInChI=1S/C14H16N4O3/c1-14(2,9-6-17-18(3)8-9)12(19)11-5-4-10(7-16-11)21-13(15)20/h4-8H,1-3H3,(H2,15,20)
InChIKeyYDPPPVUPJFNLDD-UHFFFAOYSA-N
XLogP1.43
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate
CID 175276482
[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
CID 150452419
(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide
CID 170314500
1-(5-amino-2-pyridinyl)-2-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-one
CID 164562709
[6-[(3S)-3-hydroxypiperidine-1-carbonyl]-3-pyridinyl] carbamate
CID 174952249
2-hydroxy-2-(1-methylpyrazol-4-yl)propanoic acid
CID 82412575
4-(1-methylpyrazole-4-carbonyl)oxybenzoic acid
CID 95732758
[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate
CID 175372374
(6-formyl-3-pyridinyl) carbamate
CID 175352673
1-[5-(4,4-dimethylpentoxy)-2-pyridinyl]-2,2-dimethylpropan-1-one
CID 153294435
1-(5-amino-2-pyridinyl)-2-(4-bromophenyl)-2-methylpropan-1-one
CID 164562679

Frequently Asked Questions

What is the IUPAC name of [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate?
The IUPAC name of [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate (CID 175276491) is [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate.
What is the SMILES notation for [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate?
The canonical SMILES for [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate is Cn1cc(C(C)(C)C(=O)c2ccc(OC(N)=O)cn2)cn1.
What is the InChIKey of [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate?
The InChIKey is YDPPPVUPJFNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-14(2,9-6-17-18(3)8-9)12(19)11-5-4-10(7-16-11)21-13(15)20/h4-8H,1-3H3,(H2,15,20).
What are the key properties of [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate?
[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate has a molecular weight of 288.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl] carbamate is sourced from PubChem (CID 175276491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).