2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile

C15H14N6 — CID 56864978

IUPAC2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N
InChIInChI=1S/C15H14N6/c1-8-14(9(2)21-20-8)11-5-13(10-3-4-18-7-10)19-15(17)12(11)6-16/h3-5,7,18H,1-2H3,(H2,17,19)(H,20,21)
InChIKeyVQHSSIIGCPYBJX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile

2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile (PubChem CID 56864978) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
PubChem CID56864978
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
SMILESCc1n[nH]c(C)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N
InChIInChI=1S/C15H14N6/c1-8-14(9(2)21-20-8)11-5-13(10-3-4-18-7-10)19-15(17)12(11)6-16/h3-5,7,18H,1-2H3,(H2,17,19)(H,20,21)
InChIKeyVQHSSIIGCPYBJX-UHFFFAOYSA-N
XLogP2.54
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile (CID 56864978) is 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile is Cc1n[nH]c(C)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The InChIKey is VQHSSIIGCPYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-8-14(9(2)21-20-8)11-5-13(10-3-4-18-7-10)19-15(17)12(11)6-16/h3-5,7,18H,1-2H3,(H2,17,19)(H,20,21).
What are the key properties of 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56864978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).