methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate

C15H14N4O3 — CID 15783874

IUPACmethyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-21-14-12(8-16)11(7-13(17)19-14)9-3-5-10(6-4-9)18-15(20)22-2/h3-7H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyFLWQNDPLANPACP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.39
Rot. Bonds3

About methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate

methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate (PubChem CID 15783874) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate
PubChem CID15783874
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc(N)nc(OC)c2C#N)cc1
InChIInChI=1S/C15H14N4O3/c1-21-14-12(8-16)11(7-13(17)19-14)9-3-5-10(6-4-9)18-15(20)22-2/h3-7H,1-2H3,(H2,17,19)(H,18,20)
InChIKeyFLWQNDPLANPACP-UHFFFAOYSA-N
XLogP2.39
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
N-[4-(4-amino-5-cyano-6-methoxy-2-pyridinyl)phenyl]acetamide
CID 70924991
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
CID 101217153
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
methyl N-(2-cyano-1,3-benzothiazol-6-yl)carbamate
CID 58427735
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
methyl N-(4-amino-5-cyano-3-heptyl-6-methoxy-2-pyridinyl)carbamate
CID 11056310

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate (CID 15783874) is methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate is COC(=O)Nc1ccc(-c2cc(N)nc(OC)c2C#N)cc1.
What is the InChIKey of methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate?
The InChIKey is FLWQNDPLANPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-14-12(8-16)11(7-13(17)19-14)9-3-5-10(6-4-9)18-15(20)22-2/h3-7H,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate?
methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate has a molecular weight of 298.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(6-amino-3-cyano-2-methoxy-4-pyridinyl)phenyl]carbamate is sourced from PubChem (CID 15783874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).