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

C22H21N5O — CID 109191325

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C22H21N5O/c28-22(24-11-9-17-14-26-20-6-2-1-5-19(17)20)21-8-7-18(15-27-21)25-13-16-4-3-10-23-12-16/h1-8,10,12,14-15,25-26H,9,11,13H2,(H,24,28)
InChIKeyCTFSSZJTXOXHSH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.54
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191325) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191325
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C22H21N5O/c28-22(24-11-9-17-14-26-20-6-2-1-5-19(17)20)21-8-7-18(15-27-21)25-13-16-4-3-10-23-12-16/h1-8,10,12,14-15,25-26H,9,11,13H2,(H,24,28)
InChIKeyCTFSSZJTXOXHSH-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109191325) is N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(NCc2cccnc2)cn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is CTFSSZJTXOXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(24-11-9-17-14-26-20-6-2-1-5-19(17)20)21-8-7-18(15-27-21)25-13-16-4-3-10-23-12-16/h1-8,10,12,14-15,25-26H,9,11,13H2,(H,24,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.54, 7 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-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).