N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide

C22H24N2O2 — CID 123777619

IUPACN-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide
SMILESO=C(NCC1CCOC1)C1=CCCCc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C22H24N2O2/c25-22(24-13-16-9-11-26-15-16)20-6-2-1-4-17-7-8-18(12-21(17)20)19-5-3-10-23-14-19/h3,5-8,10,12,14,16H,1-2,4,9,11,13,15H2,(H,24,25)
InChIKeyJWGKWJRFFJUDKD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.62
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide

N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide (PubChem CID 123777619) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide
PubChem CID123777619
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide
SMILESO=C(NCC1CCOC1)C1=CCCCc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C22H24N2O2/c25-22(24-13-16-9-11-26-15-16)20-6-2-1-4-17-7-8-18(12-21(17)20)19-5-3-10-23-14-19/h3,5-8,10,12,14,16H,1-2,4,9,11,13,15H2,(H,24,25)
InChIKeyJWGKWJRFFJUDKD-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
8-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123312853
4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662726
N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
CID 97160402
N-[[(2S)-7-pyridin-3-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 42480684
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-[[(2S)-7-fluoro-5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclopentene-1-carboxamide
CID 26279242
5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 118382332
N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118536804
2-(3-fluoropyridine-4-carbonyl)-N-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 171675946
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide (CID 123777619) is N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide is O=C(NCC1CCOC1)C1=CCCCc2ccc(-c3cccnc3)cc21.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide?
The InChIKey is JWGKWJRFFJUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-22(24-13-16-9-11-26-15-16)20-6-2-1-4-17-7-8-18(12-21(17)20)19-5-3-10-23-14-19/h3,5-8,10,12,14,16H,1-2,4,9,11,13,15H2,(H,24,25).
What are the key properties of N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide?
N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-pyridin-3-yl-8,9-dihydro-7H-benzo[7]annulene-5-carboxamide is sourced from PubChem (CID 123777619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).