N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide

C19H19N5O3 — CID 29135128

IUPACN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H19N5O3/c25-17(16-11-14-3-1-2-4-15(14)24-16)21-9-10-22-18(26)19(27)23-12-13-5-7-20-8-6-13/h1-8,11,24H,9-10,12H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyHEVRCJVRFBZKPT-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide

N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide (PubChem CID 29135128) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
PubChem CID29135128
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccncc1
InChIInChI=1S/C19H19N5O3/c25-17(16-11-14-3-1-2-4-15(14)24-16)21-9-10-22-18(26)19(27)23-12-13-5-7-20-8-6-13/h1-8,11,24H,9-10,12H2,(H,21,25)(H,22,26)(H,23,27)
InChIKeyHEVRCJVRFBZKPT-UHFFFAOYSA-N
XLogP0.73
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(1H-indol-5-yl)oxamide
CID 29147416
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
1-benzyl-3-(1H-indole-2-carbonylamino)thiourea
CID 29360278
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
CID 71476191
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide (CID 29135128) is N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide is O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccncc1.
What is the InChIKey of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
The InChIKey is HEVRCJVRFBZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(16-11-14-3-1-2-4-15(14)24-16)21-9-10-22-18(26)19(27)23-12-13-5-7-20-8-6-13/h1-8,11,24H,9-10,12H2,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide?
N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide has a molecular weight of 365.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indole-2-carbonylamino)ethyl]-N'-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 29135128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).