2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide

C18H17N5OS — CID 67160347

IUPAC2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)c1
InChIInChI=1S/C18H17N5OS/c1-12-4-2-5-13(10-12)22-16(24)15-6-3-8-20-17(15)25-11-14-7-9-21-18(19)23-14/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23)
InChIKeyIGHWBOZRSOBGCL-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.31
Rot. Bonds5

About 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 67160347) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID67160347
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)c1
InChIInChI=1S/C18H17N5OS/c1-12-4-2-5-13(10-12)22-16(24)15-6-3-8-20-17(15)25-11-14-7-9-21-18(19)23-14/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23)
InChIKeyIGHWBOZRSOBGCL-UHFFFAOYSA-N
XLogP3.31
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 67160270
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 67160606
N-(3,5-dimethylphenyl)-2-[(2-methylsulfanylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 11964936
2-[(3-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150953
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 34068599
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
4-[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]pyridine-2-carboxylic acid
CID 23093762
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100
4-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 42600148
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide (CID 67160347) is 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccnc2SCc2ccnc(N)n2)c1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is IGHWBOZRSOBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-4-2-5-13(10-12)22-16(24)15-6-3-8-20-17(15)25-11-14-7-9-21-18(19)23-14/h2-10H,11H2,1H3,(H,22,24)(H2,19,21,23).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67160347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).