N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide

C19H15N5O3 — CID 3984422

IUPACN-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESC#CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C19H15N5O3/c1-2-11-24-15-6-4-3-5-14(15)17(19(24)27)23-22-16(25)12-21-18(26)13-7-9-20-10-8-13/h1,3-10,27H,11-12H2,(H,21,26)/b23-22+
InChIKeyDSHKWFMMLPMJAN-GHVJWSGMSA-N
MW361.36 g/mol
LogP2.42
Rot. Bonds5

About N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 3984422) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID3984422
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESC#CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C19H15N5O3/c1-2-11-24-15-6-4-3-5-14(15)17(19(24)27)23-22-16(25)12-21-18(26)13-7-9-20-10-8-13/h1,3-10,27H,11-12H2,(H,21,26)/b23-22+
InChIKeyDSHKWFMMLPMJAN-GHVJWSGMSA-N
XLogP2.42
TPSA108.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.42
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4239847
methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
CID 4203470
4-chloro-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]benzamide
CID 2011516
2-fluoro-N-(2-hydroxy-1-prop-2-ynylindol-3-yl)iminobenzamide
CID 5035763
N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-4-methoxybenzamide
CID 2018731
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1393033
ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
CID 3661340

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide (CID 3984422) is N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide is C#CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is DSHKWFMMLPMJAN-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-2-11-24-15-6-4-3-5-14(15)17(19(24)27)23-22-16(25)12-21-18(26)13-7-9-20-10-8-13/h1,3-10,27H,11-12H2,(H,21,26)/b23-22+.
What are the key properties of N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1-prop-2-ynylindol-3-yl)diazenyl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 3984422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).