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

C23H22N4O2 — CID 109215319

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C23H22N4O2/c1-29-19-6-4-5-17(13-19)27-18-10-12-24-22(14-18)23(28)25-11-9-16-15-26-21-8-3-2-7-20(16)21/h2-8,10,12-15,26H,9,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyCMRYIINRJCJIOP-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.29
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109215319) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
PubChem CID109215319
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C23H22N4O2/c1-29-19-6-4-5-17(13-19)27-18-10-12-24-22(14-18)23(28)25-11-9-16-15-26-21-8-3-2-7-20(16)21/h2-8,10,12-15,26H,9,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyCMRYIINRJCJIOP-UHFFFAOYSA-N
XLogP4.29
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide (CID 109215319) is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide is COc1cccc(Nc2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is CMRYIINRJCJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-19-6-4-5-17(13-19)27-18-10-12-24-22(14-18)23(28)25-11-9-16-15-26-21-8-3-2-7-20(16)21/h2-8,10,12-15,26H,9,11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.29, 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]-4-(3-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109215319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).