N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide

C20H23N5O2 — CID 135734527

IUPACN-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
SMILESCCN(CC)CCn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-3-24(4-2)13-14-25-17-11-6-5-9-15(17)18(20(25)27)22-23-19(26)16-10-7-8-12-21-16/h5-12,27H,3-4,13-14H2,1-2H3/b23-22+
InChIKeyUXNQTWJYDASENQ-GHVJWSGMSA-N
MW365.44 g/mol
LogP4.01
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide

N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide (PubChem CID 135734527) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
PubChem CID135734527
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
SMILESCCN(CC)CCn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-3-24(4-2)13-14-25-17-11-6-5-9-15(17)18(20(25)27)22-23-19(26)16-10-7-8-12-21-16/h5-12,27H,3-4,13-14H2,1-2H3/b23-22+
InChIKeyUXNQTWJYDASENQ-GHVJWSGMSA-N
XLogP4.01
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
N-[2-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-3-yl]iminopyridine-2-carboxamide
CID 2006781
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide
CID 3810229
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]iminopyridine-2-carboxamide
CID 2012392
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894654
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 135749649

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide (CID 135734527) is N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide is CCN(CC)CCn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide?
The InChIKey is UXNQTWJYDASENQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-24(4-2)13-14-25-17-11-6-5-9-15(17)18(20(25)27)22-23-19(26)16-10-7-8-12-21-16/h5-12,27H,3-4,13-14H2,1-2H3/b23-22+.
What are the key properties of N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide?
N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide is sourced from PubChem (CID 135734527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).