N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide

C20H24N4O2 — CID 109228227

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N4O2/c1-26-10-4-8-22-17-11-16(12-21-14-17)20(25)23-9-7-15-13-24-19-6-3-2-5-18(15)19/h2-3,5-6,11-14,22,24H,4,7-10H2,1H3,(H,23,25)
InChIKeyBDFNUEKPTHHTSH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.98
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109228227) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109228227
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N4O2/c1-26-10-4-8-22-17-11-16(12-21-14-17)20(25)23-9-7-15-13-24-19-6-3-2-5-18(15)19/h2-3,5-6,11-14,22,24H,4,7-10H2,1H3,(H,23,25)
InChIKeyBDFNUEKPTHHTSH-UHFFFAOYSA-N
XLogP2.98
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
CID 109237687
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237659
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109228227) is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is BDFNUEKPTHHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-10-4-8-22-17-11-16(12-21-14-17)20(25)23-9-7-15-13-24-19-6-3-2-5-18(15)19/h2-3,5-6,11-14,22,24H,4,7-10H2,1H3,(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109228227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).