N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide

C25H26N4O — CID 109171507

IUPACN-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H26N4O/c1-2-29(18-19-8-4-3-5-9-19)25(30)20-12-14-26-24(16-20)27-15-13-21-17-28-23-11-7-6-10-22(21)23/h3-12,14,16-17,28H,2,13,15,18H2,1H3,(H,26,27)
InChIKeyCORQYMRPIBIHJK-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.88
Rot. Bonds8

About N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide

N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide (PubChem CID 109171507) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
PubChem CID109171507
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H26N4O/c1-2-29(18-19-8-4-3-5-9-19)25(30)20-12-14-26-24(16-20)27-15-13-21-17-28-23-11-7-6-10-22(21)23/h3-12,14,16-17,28H,2,13,15,18H2,1H3,(H,26,27)
InChIKeyCORQYMRPIBIHJK-UHFFFAOYSA-N
XLogP4.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333
N,N-diethyl-9-[2-(1H-indol-3-yl)ethylamino]acridine-3-carboxamide
CID 11517741
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide (CID 109171507) is N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide?
The InChIKey is CORQYMRPIBIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-2-29(18-19-8-4-3-5-9-19)25(30)20-12-14-26-24(16-20)27-15-13-21-17-28-23-11-7-6-10-22(21)23/h3-12,14,16-17,28H,2,13,15,18H2,1H3,(H,26,27).
What are the key properties of N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide?
N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109171507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).