N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide

C20H21N5O2 — CID 155482789

IUPACN-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cc(NC(=O)c2nc(OC)c(C#N)c(C)c2C)ccc1N)C1CC1
InChIInChI=1S/C20H21N5O2/c1-10-11(2)18(25-20(27-3)15(10)9-21)19(26)24-13-6-7-16(22)14(8-13)17(23)12-4-5-12/h6-8,12,23H,4-5,22H2,1-3H3,(H,24,26)/b23-17+
InChIKeyQKJZTLNZXWIHDX-HAVVHWLPSA-N
MW363.42 g/mol
LogP3.19
Rot. Bonds5

About N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide

N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide (PubChem CID 155482789) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide
PubChem CID155482789
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide
SMILES[H]/N=C(/c1cc(NC(=O)c2nc(OC)c(C#N)c(C)c2C)ccc1N)C1CC1
InChIInChI=1S/C20H21N5O2/c1-10-11(2)18(25-20(27-3)15(10)9-21)19(26)24-13-6-7-16(22)14(8-13)17(23)12-4-5-12/h6-8,12,23H,4-5,22H2,1-3H3,(H,24,26)/b23-17+
InChIKeyQKJZTLNZXWIHDX-HAVVHWLPSA-N
XLogP3.19
TPSA124.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide (CID 155482789) is N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide is [H]/N=C(/c1cc(NC(=O)c2nc(OC)c(C#N)c(C)c2C)ccc1N)C1CC1.
What is the InChIKey of N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is QKJZTLNZXWIHDX-HAVVHWLPSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-10-11(2)18(25-20(27-3)15(10)9-21)19(26)24-13-6-7-16(22)14(8-13)17(23)12-4-5-12/h6-8,12,23H,4-5,22H2,1-3H3,(H,24,26)/b23-17+.
What are the key properties of N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide?
N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(cyclopropanecarboximidoyl)phenyl]-5-cyano-6-methoxy-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 155482789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).