N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide

C19H20N5O3+ — CID 2006781

IUPACN-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(C[NH+]2CCOCC2)c2ccccc12)c1ccccn1
InChIInChI=1S/C19H19N5O3/c25-18(15-6-3-4-8-20-15)22-21-17-14-5-1-2-7-16(14)24(19(17)26)13-23-9-11-27-12-10-23/h1-8,26H,9-13H2/p+1/b22-21+
InChIKeyLDUASZAQTFCLIS-QURGRASLSA-O
MW366.40 g/mol
LogP1.54
Rot. Bonds4

About N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide

N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide (PubChem CID 2006781) has the molecular formula C19H20N5O3+ and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide
PubChem CID2006781
Molecular FormulaC19H20N5O3+
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide
SMILESO=C(/N=N/c1c(O)n(C[NH+]2CCOCC2)c2ccccc12)c1ccccn1
InChIInChI=1S/C19H19N5O3/c25-18(15-6-3-4-8-20-15)22-21-17-14-5-1-2-7-16(14)24(19(17)26)13-23-9-11-27-12-10-23/h1-8,26H,9-13H2/p+1/b22-21+
InChIKeyLDUASZAQTFCLIS-QURGRASLSA-O
XLogP1.54
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-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-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 135734527
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-bromobenzamide
CID 2311216
N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
CID 135848862
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminopyridine-2-carboxamide
CID 2012392
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 135671924
1-(1-butyl-2-hydroxyindol-3-yl)imino-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135689864
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide (CID 2006781) is N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide is O=C(/N=N/c1c(O)n(C[NH+]2CCOCC2)c2ccccc12)c1ccccn1.
What is the InChIKey of N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide?
The InChIKey is LDUASZAQTFCLIS-QURGRASLSA-O. The full InChI is InChI=1S/C19H19N5O3/c25-18(15-6-3-4-8-20-15)22-21-17-14-5-1-2-7-16(14)24(19(17)26)13-23-9-11-27-12-10-23/h1-8,26H,9-13H2/p+1/b22-21+.
What are the key properties of N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide?
N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide is sourced from PubChem (CID 2006781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).