N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

C21H23N7O3 — CID 68651801

IUPACN-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESNc1ncc(-c2cccc(CNC(=O)c3ccno3)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C21H23N7O3/c22-19-18(21(30)27-15-5-2-7-23-11-15)28-16(12-24-19)14-4-1-3-13(9-14)10-25-20(29)17-6-8-26-31-17/h1,3-4,6,8-9,12,15,23H,2,5,7,10-11H2,(H2,22,24)(H,25,29)(H,27,30)/t15-/m0/s1
InChIKeyJRLCVRJGMVZGNR-HNNXBMFYSA-N
MW421.46 g/mol
LogP1.13
Rot. Bonds6

About N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 68651801) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID68651801
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
SMILESNc1ncc(-c2cccc(CNC(=O)c3ccno3)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C21H23N7O3/c22-19-18(21(30)27-15-5-2-7-23-11-15)28-16(12-24-19)14-4-1-3-13(9-14)10-25-20(29)17-6-8-26-31-17/h1,3-4,6,8-9,12,15,23H,2,5,7,10-11H2,(H2,22,24)(H,25,29)(H,27,30)/t15-/m0/s1
InChIKeyJRLCVRJGMVZGNR-HNNXBMFYSA-N
XLogP1.13
TPSA148.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide 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-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 68651764
3-amino-6-[3-[(3,5-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651270
3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68652015
3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650722
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209
3-amino-6-[3-[(6-chloro-2-fluoro-3-methylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650312
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650688
3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650258
3-amino-6-[3-[(2,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650667
3-amino-6-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651435
3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651617

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (CID 68651801) is N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is Nc1ncc(-c2cccc(CNC(=O)c3ccno3)c2)nc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JRLCVRJGMVZGNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N7O3/c22-19-18(21(30)27-15-5-2-7-23-11-15)28-16(12-24-19)14-4-1-3-13(9-14)10-25-20(29)17-6-8-26-31-17/h1,3-4,6,8-9,12,15,23H,2,5,7,10-11H2,(H2,22,24)(H,25,29)(H,27,30)/t15-/m0/s1.
What are the key properties of N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68651801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).