N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide

C15H20N4OS — CID 46986809

IUPACN-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)c1cccnc1SC
InChIInChI=1S/C15H20N4OS/c1-4-5-9-19-13(11(2)10-17-19)18-14(20)12-7-6-8-16-15(12)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyNFNXWVMQUDCHMC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.36
Rot. Bonds6

About N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 46986809) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID46986809
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)c1cccnc1SC
InChIInChI=1S/C15H20N4OS/c1-4-5-9-19-13(11(2)10-17-19)18-14(20)12-7-6-8-16-15(12)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyNFNXWVMQUDCHMC-UHFFFAOYSA-N
XLogP3.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 4173511
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CID 2558670
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CID 18106906
CID 18106906
CID 746692
CID 746692
CID 1387083
CID 1387083
CID 3758868
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CID 666994
CID 666994
CID 4615339
CID 4615339
CID 807237
CID 807237
CID 2161642
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CID 9118200
CID 9118200
CID 17408726
CID 17408726

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 46986809) is N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide is CCCCn1ncc(C)c1NC(=O)c1cccnc1SC.
What is the InChIKey of N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is NFNXWVMQUDCHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-5-9-19-13(11(2)10-17-19)18-14(20)12-7-6-8-16-15(12)21-3/h6-8,10H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-methylpyrazol-5-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46986809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).