N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide

C19H25N5OS — CID 26402282

IUPACN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1cccnc1N1CCCN(C)CC1
InChIInChI=1S/C19H25N5OS/c1-23-10-5-11-24(13-12-23)17-15(6-3-8-20-17)14-22-18(25)16-7-4-9-21-19(16)26-2/h3-4,6-9H,5,10-14H2,1-2H3,(H,22,25)
InChIKeyVTLLNJJMANZVNM-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.27
Rot. Bonds5

About N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 26402282) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID26402282
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1cccnc1N1CCCN(C)CC1
InChIInChI=1S/C19H25N5OS/c1-23-10-5-11-24(13-12-23)17-15(6-3-8-20-17)14-22-18(25)16-7-4-9-21-19(16)26-2/h3-4,6-9H,5,10-14H2,1-2H3,(H,22,25)
InChIKeyVTLLNJJMANZVNM-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide with MolForge

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Related Compounds

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2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
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2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
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CID 29029683
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
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2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
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N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 26402282) is N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1cccnc1N1CCCN(C)CC1.
What is the InChIKey of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is VTLLNJJMANZVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-23-10-5-11-24(13-12-23)17-15(6-3-8-20-17)14-22-18(25)16-7-4-9-21-19(16)26-2/h3-4,6-9H,5,10-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 26402282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).