7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C29H33N3O3 — CID 117077764

IUPAC7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN1CCCC1)CC2
InChIInChI=1S/C29H33N3O3/c1-34-26-8-6-21-4-5-24(18-25(21)19-26)29(33)31-27-9-7-23(22-10-12-30-13-11-22)20-28(27)35-17-16-32-14-2-3-15-32/h6-13,19-20,24H,2-5,14-18H2,1H3,(H,31,33)
InChIKeyHJYVEWKHACSZIL-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.98
Rot. Bonds8

About 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 117077764) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID117077764
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN1CCCC1)CC2
InChIInChI=1S/C29H33N3O3/c1-34-26-8-6-21-4-5-24(18-25(21)19-26)29(33)31-27-9-7-23(22-10-12-30-13-11-22)20-28(27)35-17-16-32-14-2-3-15-32/h6-13,19-20,24H,2-5,14-18H2,1H3,(H,31,33)
InChIKeyHJYVEWKHACSZIL-UHFFFAOYSA-N
XLogP4.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117076566
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310791
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252
6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310702
N-[2-(2-hydroxyethoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 66967172
(3S)-6-methoxy-N-[2-[[(2S)-1-methylpiperidin-2-yl]methoxy]-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566120
6-fluoro-N-[5-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117076948
N-[5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 66626400
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
5-[(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 138029318

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 117077764) is 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN1CCCC1)CC2.
What is the InChIKey of 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HJYVEWKHACSZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-26-8-6-21-4-5-24(18-25(21)19-26)29(33)31-27-9-7-23(22-10-12-30-13-11-22)20-28(27)35-17-16-32-14-2-3-15-32/h6-13,19-20,24H,2-5,14-18H2,1H3,(H,31,33).
What are the key properties of 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 117077764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).