N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide

C23H22N4O — CID 109187851

IUPACN-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H22N4O/c28-23(27-14-17-6-2-1-3-7-17)22-11-10-19(16-26-22)24-13-12-18-15-25-21-9-5-4-8-20(18)21/h1-11,15-16,24-25H,12-14H2,(H,27,28)
InChIKeyXHCSRGIFPDOATB-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.15
Rot. Bonds7

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

N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109187851) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109187851
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H22N4O/c28-23(27-14-17-6-2-1-3-7-17)22-11-10-19(16-26-22)24-13-12-18-15-25-21-9-5-4-8-20(18)21/h1-11,15-16,24-25H,12-14H2,(H,27,28)
InChIKeyXHCSRGIFPDOATB-UHFFFAOYSA-N
XLogP4.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
5-[2-(1H-indol-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109193598
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide (CID 109187851) is N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is XHCSRGIFPDOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-23(27-14-17-6-2-1-3-7-17)22-11-10-19(16-26-22)24-13-12-18-15-25-21-9-5-4-8-20(18)21/h1-11,15-16,24-25H,12-14H2,(H,27,28).
What are the key properties of N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide?
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109187851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).