(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H20N2O3 — CID 97082832

IUPAC(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C22H20N2O3/c25-22(18-12-17-6-4-5-9-20(17)26-15-18)24-14-16-10-11-21(23-13-16)27-19-7-2-1-3-8-19/h1-11,13,18H,12,14-15H2,(H,24,25)/t18-/m0/s1
InChIKeyUEDSLLGUYSZPMP-SFHVURJKSA-N
MW360.41 g/mol
LogP3.74
Rot. Bonds5

About (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97082832) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97082832
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C22H20N2O3/c25-22(18-12-17-6-4-5-9-20(17)26-15-18)24-14-16-10-11-21(23-13-16)27-19-7-2-1-3-8-19/h1-11,13,18H,12,14-15H2,(H,24,25)/t18-/m0/s1
InChIKeyUEDSLLGUYSZPMP-SFHVURJKSA-N
XLogP3.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-[(4-fluoro-3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46674166
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46494494
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97082832) is (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is UEDSLLGUYSZPMP-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22(18-12-17-6-4-5-9-20(17)26-15-18)24-14-16-10-11-21(23-13-16)27-19-7-2-1-3-8-19/h1-11,13,18H,12,14-15H2,(H,24,25)/t18-/m0/s1.
What are the key properties of (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97082832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).