N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H22N6O3 — CID 121272019

IUPACN-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)[C@H](CO)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ccc1C#N
InChIInChI=1S/C20H22N6O3/c1-26(2)20(29)17(11-27)24-15-7-13(5-6-14(15)8-21)16-9-23-18(10-22-16)25-19(28)12-3-4-12/h5-7,9-10,12,17,24,27H,3-4,11H2,1-2H3,(H,23,25,28)/t17-/m0/s1
InChIKeyIGRGLZVPZQJLQT-KRWDZBQOSA-N
MW394.44 g/mol
LogP1.22
Rot. Bonds7

About N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272019) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272019
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)[C@H](CO)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ccc1C#N
InChIInChI=1S/C20H22N6O3/c1-26(2)20(29)17(11-27)24-15-7-13(5-6-14(15)8-21)16-9-23-18(10-22-16)25-19(28)12-3-4-12/h5-7,9-10,12,17,24,27H,3-4,11H2,1-2H3,(H,23,25,28)/t17-/m0/s1
InChIKeyIGRGLZVPZQJLQT-KRWDZBQOSA-N
XLogP1.22
TPSA131.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272032
N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272179
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-[[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-[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
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
(2S)-2-[[2-cyano-5-[5-(cyclobutanecarbonylamino)pyrazin-2-yl]-3-pyridinyl]amino]propanoic acid
CID 121271990
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-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271873

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272019) is N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)[C@H](CO)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ccc1C#N.
What is the InChIKey of N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is IGRGLZVPZQJLQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-26(2)20(29)17(11-27)24-15-7-13(5-6-14(15)8-21)16-9-23-18(10-22-16)25-19(28)12-3-4-12/h5-7,9-10,12,17,24,27H,3-4,11H2,1-2H3,(H,23,25,28)/t17-/m0/s1.
What are the key properties of N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-cyano-3-[[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).