N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide

C19H15N3OS — CID 90627962

IUPACN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-11-21-18-4-2-1-3-16(17)18)22-9-13-7-15(10-20-8-13)14-5-6-24-12-14/h1-8,10-12,21H,9H2,(H,22,23)
InChIKeyZFJYMCAZFHUISC-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide

N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide (PubChem CID 90627962) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
PubChem CID90627962
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1cncc(-c2ccsc2)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-11-21-18-4-2-1-3-16(17)18)22-9-13-7-15(10-20-8-13)14-5-6-24-12-14/h1-8,10-12,21H,9H2,(H,22,23)
InChIKeyZFJYMCAZFHUISC-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 90627839
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
2-[(3-fluorophenyl)sulfonylamino]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627861
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide (CID 90627962) is N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide is O=C(NCc1cncc(-c2ccsc2)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is ZFJYMCAZFHUISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(17-11-21-18-4-2-1-3-16(17)18)22-9-13-7-15(10-20-8-13)14-5-6-24-12-14/h1-8,10-12,21H,9H2,(H,22,23).
What are the key properties of N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide?
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 90627962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).