N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide

C15H17N3O2S — CID 140582675

IUPACN-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1ccnc(S(C)=O)c1
InChIInChI=1S/C15H17N3O2S/c1-3-13(12-6-9-17-14(10-12)21(2)20)18-15(19)11-4-7-16-8-5-11/h4-10,13H,3H2,1-2H3,(H,18,19)/t13-,21?/m0/s1
InChIKeyNOPIMHIJMGSRBY-JRTLGTJJSA-N
MW303.39 g/mol
LogP2.10
Rot. Bonds5

About N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide

N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide (PubChem CID 140582675) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
PubChem CID140582675
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1)c1ccnc(S(C)=O)c1
InChIInChI=1S/C15H17N3O2S/c1-3-13(12-6-9-17-14(10-12)21(2)20)18-15(19)11-4-7-16-8-5-11/h4-10,13H,3H2,1-2H3,(H,18,19)/t13-,21?/m0/s1
InChIKeyNOPIMHIJMGSRBY-JRTLGTJJSA-N
XLogP2.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582861
N-[(1S)-1-(4-hydroxy-3-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
CID 140582609
N-[1-(2-ethylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582653
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyridine-4-carboxamide
CID 140582708
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyridine-4-carboxamide
CID 140582644
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide (CID 140582675) is N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1)c1ccnc(S(C)=O)c1.
What is the InChIKey of N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
The InChIKey is NOPIMHIJMGSRBY-JRTLGTJJSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-13(12-6-9-17-14(10-12)21(2)20)18-15(19)11-4-7-16-8-5-11/h4-10,13H,3H2,1-2H3,(H,18,19)/t13-,21?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide?
N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).