2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide

C22H27N5O3 — CID 10476619

IUPAC2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1cc2c(nc1Nc1ccccc1)CCC2
InChIInChI=1S/C22H27N5O3/c28-20(9-10-27-11-13-30-14-12-27)25-26-22(29)18-15-16-5-4-8-19(16)24-21(18)23-17-6-2-1-3-7-17/h1-3,6-7,15H,4-5,8-14H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyAYAFQADEEMJONL-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.80
Rot. Bonds6

About 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide

2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide (PubChem CID 10476619) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
PubChem CID10476619
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1cc2c(nc1Nc1ccccc1)CCC2
InChIInChI=1S/C22H27N5O3/c28-20(9-10-27-11-13-30-14-12-27)25-26-22(29)18-15-16-5-4-8-19(16)24-21(18)23-17-6-2-1-3-7-17/h1-3,6-7,15H,4-5,8-14H2,(H,23,24)(H,25,28)(H,26,29)
InChIKeyAYAFQADEEMJONL-UHFFFAOYSA-N
XLogP1.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-morpholin-4-ylpropanoyl)-1,6-naphthyridine-3-carbohydrazide
CID 166378567
4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N'-(3-morpholin-4-ylpropanoyl)pyrimidine-5-carbohydrazide
CID 44562431
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709608
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The IUPAC name of 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide (CID 10476619) is 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The canonical SMILES for 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide is O=C(CCN1CCOCC1)NNC(=O)c1cc2c(nc1Nc1ccccc1)CCC2.
What is the InChIKey of 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The InChIKey is AYAFQADEEMJONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c28-20(9-10-27-11-13-30-14-12-27)25-26-22(29)18-15-16-5-4-8-19(16)24-21(18)23-17-6-2-1-3-7-17/h1-3,6-7,15H,4-5,8-14H2,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide has a molecular weight of 409.49 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-(3-morpholin-4-ylpropanoyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide is sourced from PubChem (CID 10476619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).