4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide

C23H18N6OS — CID 68613928

IUPAC4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1c(N)nc(SCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
InChIKeyZZDYGBAXSRKELQ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.65
Rot. Bonds6

About 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide

4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 68613928) has the molecular formula C23H18N6OS and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide
PubChem CID68613928
Molecular FormulaC23H18N6OS
Molecular Weight426.51 g/mol
Exact Mass426.13
IUPAC Name4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide
SMILESN#Cc1c(N)nc(SCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30)
InChIKeyZZDYGBAXSRKELQ-UHFFFAOYSA-N
XLogP3.65
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(1S,7S)-3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl]phenyl]-5-cyanopyridine-2-carboxamide
CID 71183876
4-({[6-amino-3,5-dicyano-4-(3,4-difluorophenyl)pyridin-2-yl]sulfanyl}methyl)-N-methylpyridine-2-carboxamide
CID 56592011
4-[[6-amino-3,5-dicyano-4-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 56592177
4-({[3,5-Dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenylpyridin-2-yl]sulfanyl}methyl)-N-methylpyridine-2-carboxamide
CID 56592181
4-[({3,5-Dicyano-6-[(2-hydroxyethyl)(methyl)amino]-4-phenylpyridin-2-yl}sulfanyl)methyl]-N-methylpyridine-2-carboxamide
CID 66631260
3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-(2-aminoethyl)benzamide
CID 66633776
4-[[3,5-dicyano-6-(2-hydroxyethylamino)-4-pyridin-2-yl-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68597882
4-[[3,5-dicyano-4-phenyl-6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridin-2-yl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68600557
N-cyclopropyl-4-[(3,5-dicyano-4-phenyl-6-pyrrolidin-1-yl-2-pyridinyl)sulfanylmethyl]pyridine-2-carboxamide
CID 68602402
4-[[6-amino-3,5-dicyano-4-[4-(methylamino)phenyl]-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68604883
4-[[6-amino-3,5-dicyano-4-(3,5-difluorophenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68612245
4-[[3,5-dicyano-6-[[(2S)-2,3-dihydroxypropyl]amino]-4-phenyl-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68613195

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide (CID 68613928) is 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide is N#Cc1c(N)nc(SCc2ccnc(C(=O)NC3CC3)c2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is ZZDYGBAXSRKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS/c24-11-17-20(15-4-2-1-3-5-15)18(12-25)23(29-21(17)26)31-13-14-8-9-27-19(10-14)22(30)28-16-6-7-16/h1-5,8-10,16H,6-7,13H2,(H2,26,29)(H,28,30).
What are the key properties of 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide?
4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 68613928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).