2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C18H16N4O2 — CID 169393784

IUPAC2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(COCC2CC2)c1
InChIInChI=1S/C18H16N4O2/c19-7-14-16(15(8-20)18(23)22-17(14)21)13-3-1-2-12(6-13)10-24-9-11-4-5-11/h1-3,6,11H,4-5,9-10H2,(H3,21,22,23)
InChIKeyIHWNEQPFQVHJBH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.29
Rot. Bonds5

About 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393784) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393784
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(COCC2CC2)c1
InChIInChI=1S/C18H16N4O2/c19-7-14-16(15(8-20)18(23)22-17(14)21)13-3-1-2-12(6-13)10-24-9-11-4-5-11/h1-3,6,11H,4-5,9-10H2,(H3,21,22,23)
InChIKeyIHWNEQPFQVHJBH-UHFFFAOYSA-N
XLogP2.29
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(cyclopropylmethoxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584786
2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394393
2-amino-4-[3-(3-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393913
2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393728
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
2-amino-4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395402
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393411
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
2-amino-4-[3-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393488

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393784) is 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cccc(COCC2CC2)c1.
What is the InChIKey of 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IHWNEQPFQVHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-7-14-16(15(8-20)18(23)22-17(14)21)13-3-1-2-12(6-13)10-24-9-11-4-5-11/h1-3,6,11H,4-5,9-10H2,(H3,21,22,23).
What are the key properties of 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 320.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(cyclopropylmethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).