propan-2-yl N-(5-cyano-2-pyridinyl)carbamate

C10H11N3O2 — CID 62353732

IUPACpropan-2-yl N-(5-cyano-2-pyridinyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H11N3O2/c1-7(2)15-10(14)13-9-4-3-8(5-11)6-12-9/h3-4,6-7H,1-2H3,(H,12,13,14)
InChIKeyQTXQRDOVTUPMDY-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.91
Rot. Bonds2

About propan-2-yl N-(5-cyano-2-pyridinyl)carbamate

propan-2-yl N-(5-cyano-2-pyridinyl)carbamate (PubChem CID 62353732) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is propan-2-yl N-(5-cyano-2-pyridinyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-cyano-2-pyridinyl)carbamate
PubChem CID62353732
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namepropan-2-yl N-(5-cyano-2-pyridinyl)carbamate
SMILESCC(C)OC(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H11N3O2/c1-7(2)15-10(14)13-9-4-3-8(5-11)6-12-9/h3-4,6-7H,1-2H3,(H,12,13,14)
InChIKeyQTXQRDOVTUPMDY-UHFFFAOYSA-N
XLogP1.91
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-cyano-2-pyridinyl)carbamate?
The IUPAC name of propan-2-yl N-(5-cyano-2-pyridinyl)carbamate (CID 62353732) is propan-2-yl N-(5-cyano-2-pyridinyl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-cyano-2-pyridinyl)carbamate?
The canonical SMILES for propan-2-yl N-(5-cyano-2-pyridinyl)carbamate is CC(C)OC(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of propan-2-yl N-(5-cyano-2-pyridinyl)carbamate?
The InChIKey is QTXQRDOVTUPMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(2)15-10(14)13-9-4-3-8(5-11)6-12-9/h3-4,6-7H,1-2H3,(H,12,13,14).
What are the key properties of propan-2-yl N-(5-cyano-2-pyridinyl)carbamate?
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate has a molecular weight of 205.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-cyano-2-pyridinyl)carbamate is sourced from PubChem (CID 62353732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).