4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide

C26H20N2O4 — CID 156870979

IUPAC4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C26H20N2O4/c27-26(30)21-8-7-20(18-3-1-2-4-19(18)21)25(16-9-12-28-13-10-16)32-17-5-6-22-23(29)11-14-31-24(22)15-17/h1-10,12-13,15,25H,11,14H2,(H2,27,30)
InChIKeySVWWHQDPJWMKHA-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.47
Rot. Bonds5

About 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide

4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide (PubChem CID 156870979) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide
PubChem CID156870979
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C26H20N2O4/c27-26(30)21-8-7-20(18-3-1-2-4-19(18)21)25(16-9-12-28-13-10-16)32-17-5-6-22-23(29)11-14-31-24(22)15-17/h1-10,12-13,15,25H,11,14H2,(H2,27,30)
InChIKeySVWWHQDPJWMKHA-UHFFFAOYSA-N
XLogP4.47
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870805
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 175856874
4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
CID 156871240
7-[(1S,3Z,5E)-6-hydroxy-2-methylidene-1-pyridin-4-ylhepta-3,5-dienoxy]-2,3-dihydrochromen-4-one
CID 170181649
4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
CID 166783375
4-[[2-(benzhydrylideneamino)-4-pyridinyl]-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 168740789
4-[(R)-(4-oxo-6-phenyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856879
(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336
4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856798
4-[(8-ethynyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
CID 156870962
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871515

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide (CID 156870979) is 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide is NC(=O)c1ccc(C(Oc2ccc3c(c2)OCCC3=O)c2ccncc2)c2ccccc12.
What is the InChIKey of 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide?
The InChIKey is SVWWHQDPJWMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c27-26(30)21-8-7-20(18-3-1-2-4-19(18)21)25(16-9-12-28-13-10-16)32-17-5-6-22-23(29)11-14-31-24(22)15-17/h1-10,12-13,15,25H,11,14H2,(H2,27,30).
What are the key properties of 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide?
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 156870979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).