N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide

C22H25N7O3 — CID 138457212

IUPACN-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESC/N=C/c1cc(NC(=O)c2coc(-c3ccnc(N)c3)n2)c(N2CCC(O)CC2)cc1N
InChIInChI=1S/C22H25N7O3/c1-25-11-14-8-17(19(10-16(14)23)29-6-3-15(30)4-7-29)27-21(31)18-12-32-22(28-18)13-2-5-26-20(24)9-13/h2,5,8-12,15,30H,3-4,6-7,23H2,1H3,(H2,24,26)(H,27,31)/b25-11+
InChIKeyDHKIVFSOJLTXBK-OPEKNORGSA-N
MW435.49 g/mol
LogP2.16
Rot. Bonds5

About N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 138457212) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID138457212
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC NameN-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESC/N=C/c1cc(NC(=O)c2coc(-c3ccnc(N)c3)n2)c(N2CCC(O)CC2)cc1N
InChIInChI=1S/C22H25N7O3/c1-25-11-14-8-17(19(10-16(14)23)29-6-3-15(30)4-7-29)27-21(31)18-12-32-22(28-18)13-2-5-26-20(24)9-13/h2,5,8-12,15,30H,3-4,6-7,23H2,1H3,(H2,24,26)(H,27,31)/b25-11+
InChIKeyDHKIVFSOJLTXBK-OPEKNORGSA-N
XLogP2.16
TPSA155.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-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-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-2-(2-methoxy-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226580
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226751
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[3-(2-amino-4-pyridinyl)-6-(4-hydroxypiperidin-1-yl)-2-methylindazol-5-yl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 142796794
N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
2-(2-amino-4-pyridinyl)-N-ethyl-1,3-oxazole-4-carboxamide
CID 142161933
2-(2-amino-3-fluoro-4-pyridinyl)-N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608527
2-(2-amino-3-pyridinyl)-N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-1,3-oxazole-4-carboxamide
CID 118608421
N-[5-(4-hydroxypiperidin-1-yl)-2-morpholin-2-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 175460560
2-[2-(methylamino)-4-pyridinyl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 118226407

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 138457212) is N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide is C/N=C/c1cc(NC(=O)c2coc(-c3ccnc(N)c3)n2)c(N2CCC(O)CC2)cc1N.
What is the InChIKey of N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DHKIVFSOJLTXBK-OPEKNORGSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-25-11-14-8-17(19(10-16(14)23)29-6-3-15(30)4-7-29)27-21(31)18-12-32-22(28-18)13-2-5-26-20(24)9-13/h2,5,8-12,15,30H,3-4,6-7,23H2,1H3,(H2,24,26)(H,27,31)/b25-11+.
What are the key properties of N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138457212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).