6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide

C19H16ClN3O2 — CID 58104369

IUPAC6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(Cl)n1
InChIInChI=1S/C19H16ClN3O2/c20-18-16(10-11-17(21)23-18)19(24)22-12-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H2,21,23)(H,22,24)
InChIKeyIBWASKVSHUXPKJ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.04
Rot. Bonds5

About 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide

6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 58104369) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID58104369
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(Cl)n1
InChIInChI=1S/C19H16ClN3O2/c20-18-16(10-11-17(21)23-18)19(24)22-12-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H2,21,23)(H,22,24)
InChIKeyIBWASKVSHUXPKJ-UHFFFAOYSA-N
XLogP4.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 71881348
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide (CID 58104369) is 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(Cl)n1.
What is the InChIKey of 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is IBWASKVSHUXPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-18-16(10-11-17(21)23-18)19(24)22-12-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-11H,12H2,(H2,21,23)(H,22,24).
What are the key properties of 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).