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

C20H22N5O2+ — CID 135848862

IUPACN-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
SMILESO=C(/N=N/c1c(O)n(C[NH+]2CCCCC2)c2ccccc12)c1cccnc1
InChIInChI=1S/C20H21N5O2/c26-19(15-7-6-10-21-13-15)23-22-18-16-8-2-3-9-17(16)25(20(18)27)14-24-11-4-1-5-12-24/h2-3,6-10,13,27H,1,4-5,11-12,14H2/p+1/b23-22+
InChIKeyAAQVVCGZEYEKPI-GHVJWSGMSA-O
MW364.43 g/mol
LogP2.69
Rot. Bonds4

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

N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide (PubChem CID 135848862) has the molecular formula C20H22N5O2+ and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
PubChem CID135848862
Molecular FormulaC20H22N5O2+
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC NameN-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
SMILESO=C(/N=N/c1c(O)n(C[NH+]2CCCCC2)c2ccccc12)c1cccnc1
InChIInChI=1S/C20H21N5O2/c26-19(15-7-6-10-21-13-15)23-22-18-16-8-2-3-9-17(16)25(20(18)27)14-24-11-4-1-5-12-24/h2-3,6-10,13,27H,1,4-5,11-12,14H2/p+1/b23-22+
InChIKeyAAQVVCGZEYEKPI-GHVJWSGMSA-O
XLogP2.69
TPSA84.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N-[2-hydroxy-1-[(2-pyridin-3-ylpiperidin-1-yl)methyl]indol-3-yl]iminobenzamide
CID 135652608
N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide
CID 2006781
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-(4-chlorophenoxy)acetamide
CID 2309760
N-[1-[[(1R)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-hydroxyindol-3-yl]iminopyridine-3-carboxamide
CID 136695965
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
CID 4203470
N-[5-bromo-2-hydroxy-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-yl]imino-4-chlorobenzamide
CID 135750578
1-(4-fluorophenyl)-3-[2-hydroxy-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-yl]iminothiourea
CID 2013642
N-[5-bromo-2-hydroxy-1-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]indol-3-yl]iminopyridine-3-carboxamide
CID 135956121

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide (CID 135848862) is N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide is O=C(/N=N/c1c(O)n(C[NH+]2CCCCC2)c2ccccc12)c1cccnc1.
What is the InChIKey of N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide?
The InChIKey is AAQVVCGZEYEKPI-GHVJWSGMSA-O. The full InChI is InChI=1S/C20H21N5O2/c26-19(15-7-6-10-21-13-15)23-22-18-16-8-2-3-9-17(16)25(20(18)27)14-24-11-4-1-5-12-24/h2-3,6-10,13,27H,1,4-5,11-12,14H2/p+1/b23-22+.
What are the key properties of N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide?
N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide is sourced from PubChem (CID 135848862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).