N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide

C18H17N3OS — CID 58487462

IUPACN-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2/h3-10H,1-2H3,(H3,19,20,21,22)
InChIKeyAMOJSTCYZQHDQR-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.26
Rot. Bonds3

About N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487462) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
PubChem CID58487462
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2/h3-10H,1-2H3,(H3,19,20,21,22)
InChIKeyAMOJSTCYZQHDQR-UHFFFAOYSA-N
XLogP4.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487003
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
CID 58486948
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
CID 123596980
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide (CID 58487462) is N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is AMOJSTCYZQHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2/h3-10H,1-2H3,(H3,19,20,21,22).
What are the key properties of N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 323.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).