(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile

C15H13ClN4O — CID 142860129

IUPAC(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile
SMILESCC(=O)C1=C(C#N)C(c2ccccc2Cl)/C(=C/N)C(N)=N1
InChIInChI=1S/C15H13ClN4O/c1-8(21)14-10(6-17)13(11(7-18)15(19)20-14)9-4-2-3-5-12(9)16/h2-5,7,13H,18H2,1H3,(H2,19,20)/b11-7-
InChIKeyPXVZPLRDSVPEKI-XFFZJAGNSA-N
MW300.75 g/mol
LogP2.00
Rot. Bonds2

About (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile

(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile (PubChem CID 142860129) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile
PubChem CID142860129
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile
SMILESCC(=O)C1=C(C#N)C(c2ccccc2Cl)/C(=C/N)C(N)=N1
InChIInChI=1S/C15H13ClN4O/c1-8(21)14-10(6-17)13(11(7-18)15(19)20-14)9-4-2-3-5-12(9)16/h2-5,7,13H,18H2,1H3,(H2,19,20)/b11-7-
InChIKeyPXVZPLRDSVPEKI-XFFZJAGNSA-N
XLogP2.00
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile?
The IUPAC name of (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile (CID 142860129) is (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile.
What is the SMILES notation for (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile?
The canonical SMILES for (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile is CC(=O)C1=C(C#N)C(c2ccccc2Cl)/C(=C/N)C(N)=N1.
What is the InChIKey of (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile?
The InChIKey is PXVZPLRDSVPEKI-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-8(21)14-10(6-17)13(11(7-18)15(19)20-14)9-4-2-3-5-12(9)16/h2-5,7,13H,18H2,1H3,(H2,19,20)/b11-7-.
What are the key properties of (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile?
(5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile has a molecular weight of 300.75 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-acetyl-6-amino-5-(aminomethylidene)-4-(2-chlorophenyl)-4H-pyridine-3-carbonitrile is sourced from PubChem (CID 142860129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).