N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

C20H23N3O2 — CID 45171333

IUPACN-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)C1CCCO1
InChIInChI=1S/C20H23N3O2/c24-20(19-5-3-11-25-19)22-17-7-6-15-8-10-23(13-16(15)12-17)14-18-4-1-2-9-21-18/h1-2,4,6-7,9,12,19H,3,5,8,10-11,13-14H2,(H,22,24)
InChIKeyDPLUHDTUTDKANA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (PubChem CID 45171333) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
PubChem CID45171333
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)C1CCCO1
InChIInChI=1S/C20H23N3O2/c24-20(19-5-3-11-25-19)22-17-7-6-15-8-10-23(13-16(15)12-17)14-18-4-1-2-9-21-18/h1-2,4,6-7,9,12,19H,3,5,8,10-11,13-14H2,(H,22,24)
InChIKeyDPLUHDTUTDKANA-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 24791649
N-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526258
N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45195102
N-[2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45215598
N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45244491
N-[2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45180223
N-[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 45183582
N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxolane-2-carboxamide
CID 24791865
(2R)-N-[2-[2-(1,2,4-triazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 25364240
(2S)-N-[2-[2-(5-aminotetrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97273504
(2R)-N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 25297833
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide (CID 45171333) is N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)CN(Cc1ccccn1)CC2)C1CCCO1.
What is the InChIKey of N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
The InChIKey is DPLUHDTUTDKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(19-5-3-11-25-19)22-17-7-6-15-8-10-23(13-16(15)12-17)14-18-4-1-2-9-21-18/h1-2,4,6-7,9,12,19H,3,5,8,10-11,13-14H2,(H,22,24).
What are the key properties of N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide?
N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide is sourced from PubChem (CID 45171333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).