2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide

C19H19N5OS — CID 139694481

IUPAC2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1cccnc1CSc1ncccc1C(=O)Nc1ccncc1
InChIInChI=1S/C19H19N5OS/c1-24(2)17-6-4-9-21-16(17)13-26-19-15(5-3-10-22-19)18(25)23-14-7-11-20-12-8-14/h3-12H,13H2,1-2H3,(H,20,23,25)
InChIKeyNWWKRFNWEAWEPV-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.48
Rot. Bonds6

About 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide

2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 139694481) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID139694481
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C)c1cccnc1CSc1ncccc1C(=O)Nc1ccncc1
InChIInChI=1S/C19H19N5OS/c1-24(2)17-6-4-9-21-16(17)13-26-19-15(5-3-10-22-19)18(25)23-14-7-11-20-12-8-14/h3-12H,13H2,1-2H3,(H,20,23,25)
InChIKeyNWWKRFNWEAWEPV-UHFFFAOYSA-N
XLogP3.48
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pyridin-4-ylmethylsulfanyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 23093814
N-(3-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093989
2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(dimethylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 10836089
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093756
2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55760593
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
CID 15015989
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
2-[(3-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150953
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[[[2-(dimethylamino)acetyl]amino]-pyridin-4-ylmethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67219820
2-[[4-(dimethylamino)-2,3,6-trifluorophenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 10765265

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide (CID 139694481) is 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide is CN(C)c1cccnc1CSc1ncccc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is NWWKRFNWEAWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-24(2)17-6-4-9-21-16(17)13-26-19-15(5-3-10-22-19)18(25)23-14-7-11-20-12-8-14/h3-12H,13H2,1-2H3,(H,20,23,25).
What are the key properties of 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide?
2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-pyridinyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 139694481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).