4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide

C19H17ClN4O — CID 129083523

IUPAC4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)nc(Cl)c(C)c1N
InChIInChI=1S/C19H17ClN4O/c1-11-16(21)15(19(22)23)17(24-18(11)20)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10H,1H3,(H2,21,24)(H3,22,23)
InChIKeyKQVPFVGOUXNBCD-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.37
Rot. Bonds4

About 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide

4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide (PubChem CID 129083523) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
PubChem CID129083523
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)nc(Cl)c(C)c1N
InChIInChI=1S/C19H17ClN4O/c1-11-16(21)15(19(22)23)17(24-18(11)20)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10H,1H3,(H2,21,24)(H3,22,23)
InChIKeyKQVPFVGOUXNBCD-UHFFFAOYSA-N
XLogP4.37
TPSA98.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083599
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
4-amino-2-tert-butyl-6-(4-phenoxyphenyl)pyrimidine-5-carboximidamide
CID 123851213
3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484
2-amino-4-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129065717
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
3-amino-2-(3,4-dimethoxyphenyl)-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083525
3-amino-2-[3-(dimethylamino)phenyl]-5-(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083600
2-[[4-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]benzoyl]amino]acetic acid
CID 129083547
3-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129083554
4-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083354
4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083727

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide (CID 129083523) is 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3ccccc3)cc2)nc(Cl)c(C)c1N.
What is the InChIKey of 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The InChIKey is KQVPFVGOUXNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-11-16(21)15(19(22)23)17(24-18(11)20)12-7-9-14(10-8-12)25-13-5-3-2-4-6-13/h2-10H,1H3,(H2,21,24)(H3,22,23).
What are the key properties of 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide has a molecular weight of 352.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 129083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).