6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C18H13Cl3N4O — CID 10294845

IUPAC6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1NCc1ccncc1
InChIInChI=1S/C18H13Cl3N4O/c19-14-3-1-12(9-15(14)20)24-18(26)13-2-4-16(21)25-17(13)23-10-11-5-7-22-8-6-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyRGMHIWWBTDCTFP-UHFFFAOYSA-N
MW407.69 g/mol
LogP5.30
Rot. Bonds5

About 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10294845) has the molecular formula C18H13Cl3N4O and a molecular weight of 407.69 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10294845
Molecular FormulaC18H13Cl3N4O
Molecular Weight407.69 g/mol
Exact Mass406.02
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1NCc1ccncc1
InChIInChI=1S/C18H13Cl3N4O/c19-14-3-1-12(9-15(14)20)24-18(26)13-2-4-16(21)25-17(13)23-10-11-5-7-22-8-6-11/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyRGMHIWWBTDCTFP-UHFFFAOYSA-N
XLogP5.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.69
LogP ≤ 55.30
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10294845) is 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1NCc1ccncc1.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RGMHIWWBTDCTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N4O/c19-14-3-1-12(9-15(14)20)24-18(26)13-2-4-16(21)25-17(13)23-10-11-5-7-22-8-6-11/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 407.69 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10294845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).