N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide

C22H22N4O2S — CID 32587833

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H22N4O2S/c27-21(19-7-4-9-24-22(19)29-18-5-2-1-3-6-18)25-16-17-8-10-23-20(15-17)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27)
InChIKeyHRTOHWRFGCCVHA-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.39
Rot. Bonds6

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 32587833) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID32587833
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C22H22N4O2S/c27-21(19-7-4-9-24-22(19)29-18-5-2-1-3-6-18)25-16-17-8-10-23-20(15-17)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27)
InChIKeyHRTOHWRFGCCVHA-UHFFFAOYSA-N
XLogP3.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 46400204
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide (CID 32587833) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide is O=C(NCc1ccnc(N2CCOCC2)c1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is HRTOHWRFGCCVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c27-21(19-7-4-9-24-22(19)29-18-5-2-1-3-6-18)25-16-17-8-10-23-20(15-17)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,25,27).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 32587833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).