N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide

C20H27N3O2 — CID 176977741

IUPACN,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)C1C=C(c2ccc(OC)c3cc[nH]c23)CN(C)C1
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)20(24)15-11-14(12-22(3)13-15)16-7-8-18(25-4)17-9-10-21-19(16)17/h7-11,15,21H,5-6,12-13H2,1-4H3
InChIKeyLXZTVDLHVVPRHV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.99
Rot. Bonds5

About N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide

N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide (PubChem CID 176977741) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
PubChem CID176977741
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)C1C=C(c2ccc(OC)c3cc[nH]c23)CN(C)C1
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)20(24)15-11-14(12-22(3)13-15)16-7-8-18(25-4)17-9-10-21-19(16)17/h7-11,15,21H,5-6,12-13H2,1-4H3
InChIKeyLXZTVDLHVVPRHV-UHFFFAOYSA-N
XLogP2.99
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide with MolForge

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Related Compounds

CID 156727576
CID 156727576
(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
CID 176977656
(9R)-N,N-diethyl-7-[(2-methoxyphenyl)methyl]-6a-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536868
N,N-diethyl-15-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977671
(6aR,9R)-N,N-diethyl-2-methoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170213107
3-(3,4-dimethoxybenzoyl)-N,N-diethyl-1,3-thiazolidine-4-carboxamide
CID 5226019
9-bromo-N,N-diethyl-6,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene-4-carboxamide
CID 169001496
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
CID 174960263
CID 174960263
(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide
CID 176678023
methyl 7-methoxy-1H-indole-4-carboxylate
CID 11020003
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide (CID 176977741) is N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide is CCN(CC)C(=O)C1C=C(c2ccc(OC)c3cc[nH]c23)CN(C)C1.
What is the InChIKey of N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide?
The InChIKey is LXZTVDLHVVPRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-23(6-2)20(24)15-11-14(12-22(3)13-15)16-7-8-18(25-4)17-9-10-21-19(16)17/h7-11,15,21H,5-6,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide?
N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide is sourced from PubChem (CID 176977741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).