N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide

C18H16N2OS — CID 92500192

IUPACN-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cccs2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-6-8-14(9-7-13)17(15-4-2-10-19-12-15)20-18(21)16-5-3-11-22-16/h2-12,17H,1H3,(H,20,21)/t17-/m1/s1
InChIKeyOXUKDOWKCSWDNT-QGZVFWFLSA-N
MW308.41 g/mol
LogP3.97
Rot. Bonds4

About N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide

N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide (PubChem CID 92500192) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
PubChem CID92500192
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](NC(=O)c2cccs2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-6-8-14(9-7-13)17(15-4-2-10-19-12-15)20-18(21)16-5-3-11-22-16/h2-12,17H,1H3,(H,20,21)/t17-/m1/s1
InChIKeyOXUKDOWKCSWDNT-QGZVFWFLSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204
2,2-dimethyl-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]propanamide
CID 92500199
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[2-methyl-1-[[(4-methylphenyl)-pyridin-4-ylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 131908040
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
CID 95151159
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55368199
N-[cyclopropyl-(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 51296320

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide (CID 92500192) is N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide is Cc1ccc([C@@H](NC(=O)c2cccs2)c2cccnc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide?
The InChIKey is OXUKDOWKCSWDNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-6-8-14(9-7-13)17(15-4-2-10-19-12-15)20-18(21)16-5-3-11-22-16/h2-12,17H,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide?
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 92500192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).