N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

C24H18ClN3O2S — CID 19299278

About N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 19299278) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
• PubChem CID: 19299278
• Molecular Formula: C24H18ClN3O2S
• Molecular Weight: 447.95 g/mol
• Exact Mass: 447.08
• IUPAC Name: N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
• SMILES: O=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(Cl)cn1
• InChI: InChI=1S/C24H18ClN3O2S/c25-19-10-11-22(26-14-19)28-23(29)15-31-21-7-3-6-20(13-21)27-24(30)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,27,30)(H,26,28,29)
• InChIKey: QJIXRPSLHZUEIF-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.95
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?

The IUPAC name of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 19299278) is N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is O=C(CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1)Nc1ccc(Cl)cn1.

What is the InChIKey of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?

The InChIKey is QJIXRPSLHZUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c25-19-10-11-22(26-14-19)28-23(29)15-31-21-7-3-6-20(13-21)27-24(30)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,27,30)(H,26,28,29).

What are the key properties of N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide?

N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 447.95 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 19299278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).