methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate

C14H12N4O2 — CID 133392173

IUPACmethyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C14H12N4O2/c1-20-14(19)18-11-7-5-10(6-8-11)16-13-4-2-3-12(9-15)17-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyUFDXQGDLKYBDCZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.88
Rot. Bonds3

About methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate

methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate (PubChem CID 133392173) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
PubChem CID133392173
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namemethyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C14H12N4O2/c1-20-14(19)18-11-7-5-10(6-8-11)16-13-4-2-3-12(9-15)17-13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyUFDXQGDLKYBDCZ-UHFFFAOYSA-N
XLogP2.88
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
CID 133392490
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate (CID 133392173) is methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(Nc2cccc(C#N)n2)cc1.
What is the InChIKey of methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate?
The InChIKey is UFDXQGDLKYBDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-14(19)18-11-7-5-10(6-8-11)16-13-4-2-3-12(9-15)17-13/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate?
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate is sourced from PubChem (CID 133392173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).