N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide

C20H21N3O3 — CID 90134002

IUPACN',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide
SMILESCCN(CC)N(Cc1ccccn1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H21N3O3/c1-3-22(4-2)23(14-16-10-7-8-12-21-16)19(24)17-13-15-9-5-6-11-18(15)26-20(17)25/h5-13H,3-4,14H2,1-2H3
InChIKeyZAFLEPMRZMPPMH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds6

About N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide

N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide (PubChem CID 90134002) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide.

Molecular Properties

Compound NameN',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide
PubChem CID90134002
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide
SMILESCCN(CC)N(Cc1ccccn1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H21N3O3/c1-3-22(4-2)23(14-16-10-7-8-12-21-16)19(24)17-13-15-9-5-6-11-18(15)26-20(17)25/h5-13H,3-4,14H2,1-2H3
InChIKeyZAFLEPMRZMPPMH-UHFFFAOYSA-N
XLogP3.09
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41117568
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide?
The IUPAC name of N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide (CID 90134002) is N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide.
What is the SMILES notation for N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide?
The canonical SMILES for N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide is CCN(CC)N(Cc1ccccn1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide?
The InChIKey is ZAFLEPMRZMPPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-22(4-2)23(14-16-10-7-8-12-21-16)19(24)17-13-15-9-5-6-11-18(15)26-20(17)25/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide?
N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide has a molecular weight of 351.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide is sourced from PubChem (CID 90134002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).