2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C22H21N5O2 — CID 109309620

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O2/c1-29-20-9-5-4-8-18(20)26-21(28)19-11-13-24-22(27-19)23-12-10-15-14-25-17-7-3-2-6-16(15)17/h2-9,11,13-14,25H,10,12H2,1H3,(H,26,28)(H,23,24,27)
InChIKeyDEWKSFGKEIWNGL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.87
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109309620) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109309620
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O2/c1-29-20-9-5-4-8-18(20)26-21(28)19-11-13-24-22(27-19)23-12-10-15-14-25-17-7-3-2-6-16(15)17/h2-9,11,13-14,25H,10,12H2,1H3,(H,26,28)(H,23,24,27)
InChIKeyDEWKSFGKEIWNGL-UHFFFAOYSA-N
XLogP3.87
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886032

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109309620) is 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is DEWKSFGKEIWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-20-9-5-4-8-18(20)26-21(28)19-11-13-24-22(27-19)23-12-10-15-14-25-17-7-3-2-6-16(15)17/h2-9,11,13-14,25H,10,12H2,1H3,(H,26,28)(H,23,24,27).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).