N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H23N7O3 — CID 121271873

IUPACN-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](O)[C@@](C=O)(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)N(C)C
InChIInChI=1S/C20H23N7O3/c1-12(29)20(11-28,27(2)3)26-15-6-14(8-22-16(15)7-21)17-9-24-18(10-23-17)25-19(30)13-4-5-13/h6,8-13,26,29H,4-5H2,1-3H3,(H,24,25,30)/t12-,20-/m0/s1
InChIKeyLVRJXLHIGUASNI-YUNKPMOVSA-N
MW409.45 g/mol
LogP1.01
Rot. Bonds8

About N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271873) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271873
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC NameN-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](O)[C@@](C=O)(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)N(C)C
InChIInChI=1S/C20H23N7O3/c1-12(29)20(11-28,27(2)3)26-15-6-14(8-22-16(15)7-21)17-9-24-18(10-23-17)25-19(30)13-4-5-13/h6,8-13,26,29H,4-5H2,1-3H3,(H,24,25,30)/t12-,20-/m0/s1
InChIKeyLVRJXLHIGUASNI-YUNKPMOVSA-N
XLogP1.01
TPSA144.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-[6-cyano-5-[[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121279524
N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121279841
N-[5-[6-cyano-5-[[(2S)-1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271885
N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271889
(2S)-2-[[2-cyano-5-[5-(cyclobutanecarbonylamino)pyrazin-2-yl]-3-pyridinyl]amino]propanoic acid
CID 121271990
2-[[2-cyano-5-[5-(cyclopropanecarbonylamino)pyrazin-2-yl]-3-pyridinyl]amino]-1-(difluoromethyl)-N,N-dimethylaziridine-2-carboxamide
CID 145061283
N-[5-[6-cyano-5-[[(2S)-1-[2-hydroxyethyl(methyl)amino]-4-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272070
N-[5-[6-cyano-5-[[4,4-difluoro-1-[2-fluoroethyl(methyl)amino]-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272024
N-[5-[6-cyano-5-[[(2S)-1-[2,2-difluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
CID 121271910
N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide
CID 121271978
N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272011
N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272019

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271873) is N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is C[C@H](O)[C@@](C=O)(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)N(C)C.
What is the InChIKey of N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is LVRJXLHIGUASNI-YUNKPMOVSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-12(29)20(11-28,27(2)3)26-15-6-14(8-22-16(15)7-21)17-9-24-18(10-23-17)25-19(30)13-4-5-13/h6,8-13,26,29H,4-5H2,1-3H3,(H,24,25,30)/t12-,20-/m0/s1.
What are the key properties of N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).