2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

C19H23N5O — CID 109309635

IUPAC2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H23N5O/c1-3-24(4-2)19-21-12-10-17(23-19)18(25)20-11-9-14-13-22-16-8-6-5-7-15(14)16/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H,20,25)
InChIKeyHPIGSVZCEQSTAJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.78
Rot. Bonds7

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

2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109309635) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID109309635
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H23N5O/c1-3-24(4-2)19-21-12-10-17(23-19)18(25)20-11-9-14-13-22-16-8-6-5-7-15(14)16/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H,20,25)
InChIKeyHPIGSVZCEQSTAJ-UHFFFAOYSA-N
XLogP2.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109309678
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2109632
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
(6S)-2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129374616
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 109309635) is 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is HPIGSVZCEQSTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-24(4-2)19-21-12-10-17(23-19)18(25)20-11-9-14-13-22-16-8-6-5-7-15(14)16/h5-8,10,12-13,22H,3-4,9,11H2,1-2H3,(H,20,25).
What are the key properties of 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109309635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).