8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide

C21H23N3O4 — CID 51127392

IUPAC8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCCC(=O)Nc1cccc(C)n1)=C2
InChIInChI=1S/C21H23N3O4/c1-3-27-17-8-5-7-15-12-16(13-28-20(15)17)21(26)22-11-10-19(25)24-18-9-4-6-14(2)23-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCRWSANTYUXCIFA-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.71
Rot. Bonds7

About 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide

8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide (PubChem CID 51127392) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
PubChem CID51127392
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCCC(=O)Nc1cccc(C)n1)=C2
InChIInChI=1S/C21H23N3O4/c1-3-27-17-8-5-7-15-12-16(13-28-20(15)17)21(26)22-11-10-19(25)24-18-9-4-6-14(2)23-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCRWSANTYUXCIFA-UHFFFAOYSA-N
XLogP2.71
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636
N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 51122093
8-ethoxy-N-[2-(N-methylanilino)propyl]-2H-chromene-3-carboxamide
CID 55718017
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
CID 124843907
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
CID 55712399
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cycloheptene-1-carboxamide
CID 91649396
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47076327
8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 55759184
2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide (CID 51127392) is 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NCCC(=O)Nc1cccc(C)n1)=C2.
What is the InChIKey of 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide?
The InChIKey is CRWSANTYUXCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-27-17-8-5-7-15-12-16(13-28-20(15)17)21(26)22-11-10-19(25)24-18-9-4-6-14(2)23-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide?
8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 51127392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).