N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

C21H16N2OS — CID 121177783

IUPACN-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16N2OS/c24-21(17-8-7-15-4-1-2-5-16(15)12-17)23-13-18-6-3-10-22-20(18)19-9-11-25-14-19/h1-12,14H,13H2,(H,23,24)
InChIKeyDQTHKDLGNADZOY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.89
Rot. Bonds4

About N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (PubChem CID 121177783) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
PubChem CID121177783
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H16N2OS/c24-21(17-8-7-15-4-1-2-5-16(15)12-17)23-13-18-6-3-10-22-20(18)19-9-11-25-14-19/h1-12,14H,13H2,(H,23,24)
InChIKeyDQTHKDLGNADZOY-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (CID 121177783) is N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is O=C(NCc1cccnc1-c1ccsc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The InChIKey is DQTHKDLGNADZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(17-8-7-15-4-1-2-5-16(15)12-17)23-13-18-6-3-10-22-20(18)19-9-11-25-14-19/h1-12,14H,13H2,(H,23,24).
What are the key properties of N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 121177783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).