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

C25H26N4O — CID 109237659

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H26N4O/c1-17(2)21-7-3-6-10-24(21)29-20-13-19(14-26-16-20)25(30)27-12-11-18-15-28-23-9-5-4-8-22(18)23/h3-10,13-17,28-29H,11-12H2,1-2H3,(H,27,30)
InChIKeyKKBLFLBUTUVWEF-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.40
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109237659) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109237659
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccccc1Nc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H26N4O/c1-17(2)21-7-3-6-10-24(21)29-20-13-19(14-26-16-20)25(30)27-12-11-18-15-28-23-9-5-4-8-22(18)23/h3-10,13-17,28-29H,11-12H2,1-2H3,(H,27,30)
InChIKeyKKBLFLBUTUVWEF-UHFFFAOYSA-N
XLogP5.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228227
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-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-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109237659) is N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccccc1Nc1cncc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is KKBLFLBUTUVWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17(2)21-7-3-6-10-24(21)29-20-13-19(14-26-16-20)25(30)27-12-11-18-15-28-23-9-5-4-8-22(18)23/h3-10,13-17,28-29H,11-12H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).