5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide

C19H15ClN4O2 — CID 162660208

IUPAC5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C19H15ClN4O2/c1-21-18(25)15-7-13(9-22-10-15)14-8-16(17(20)23-11-14)24-19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,24,26)
InChIKeyPDVXZHUGSGEHRL-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.41
Rot. Bonds4

About 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide

5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide (PubChem CID 162660208) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide
PubChem CID162660208
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C19H15ClN4O2/c1-21-18(25)15-7-13(9-22-10-15)14-8-16(17(20)23-11-14)24-19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,24,26)
InChIKeyPDVXZHUGSGEHRL-UHFFFAOYSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.41
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 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide (CID 162660208) is 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide?
The InChIKey is PDVXZHUGSGEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-21-18(25)15-7-13(9-22-10-15)14-8-16(17(20)23-11-14)24-19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)(H,24,26).
What are the key properties of 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide?
5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).