N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C22H22N8O3 — CID 121272011

IUPACN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1N[C@H](C=O)CN1CCOC[C@@H]1C#N
InChIInChI=1S/C22H22N8O3/c23-6-17-13-33-4-3-30(17)11-16(12-31)28-18-5-15(8-25-19(18)7-24)20-9-27-21(10-26-20)29-22(32)14-1-2-14/h5,8-10,12,14,16-17,28H,1-4,11,13H2,(H,27,29,32)/t16-,17-/m0/s1
InChIKeyZDJWBWXGJXJBJS-IRXDYDNUSA-N
MW446.47 g/mol
LogP0.96
Rot. Bonds8

About N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272011) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272011
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC NameN-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1N[C@H](C=O)CN1CCOC[C@@H]1C#N
InChIInChI=1S/C22H22N8O3/c23-6-17-13-33-4-3-30(17)11-16(12-31)28-18-5-15(8-25-19(18)7-24)20-9-27-21(10-26-20)29-22(32)14-1-2-14/h5,8-10,12,14,16-17,28H,1-4,11,13H2,(H,27,29,32)/t16-,17-/m0/s1
InChIKeyZDJWBWXGJXJBJS-IRXDYDNUSA-N
XLogP0.96
TPSA156.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of 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) is N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1N[C@H](C=O)CN1CCOC[C@@H]1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is ZDJWBWXGJXJBJS-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H22N8O3/c23-6-17-13-33-4-3-30(17)11-16(12-31)28-18-5-15(8-25-19(18)7-24)20-9-27-21(10-26-20)29-22(32)14-1-2-14/h5,8-10,12,14,16-17,28H,1-4,11,13H2,(H,27,29,32)/t16-,17-/m0/s1.
What are the key properties of N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 446.47 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[(2S)-1-[(3S)-3-cyanomorpholin-4-yl]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).