6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C16H23ClN2O3 — CID 119512676

IUPAC6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NCC1CCCN1)CO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-9-13-3-2-6-17-13;/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19);1H
InChIKeyOWSKUHQAWPQPET-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.54
Rot. Bonds4

About 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119512676) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119512676
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NCC1CCCN1)CO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-9-13-3-2-6-17-13;/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19);1H
InChIKeyOWSKUHQAWPQPET-UHFFFAOYSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-piperidin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 119427135
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 119512676) is 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)CC(C(=O)NCC1CCCN1)CO2.Cl.
What is the InChIKey of 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is OWSKUHQAWPQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-20-14-4-5-15-11(8-14)7-12(10-21-15)16(19)18-9-13-3-2-6-17-13;/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3,(H,18,19);1H.
What are the key properties of 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).