2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

C21H17F2N5O — CID 109309683

IUPAC2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)19(15)28-21-25-11-9-18(27-21)20(29)24-10-8-13-12-26-17-7-2-1-4-14(13)17/h1-7,9,11-12,26H,8,10H2,(H,24,29)(H,25,27,28)
InChIKeyXXHNYFGSHCZENI-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.95
Rot. Bonds6

About 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109309683) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID109309683
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)19(15)28-21-25-11-9-18(27-21)20(29)24-10-8-13-12-26-17-7-2-1-4-14(13)17/h1-7,9,11-12,26H,8,10H2,(H,24,29)(H,25,27,28)
InChIKeyXXHNYFGSHCZENI-UHFFFAOYSA-N
XLogP3.95
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 109309683) is 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is XXHNYFGSHCZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c22-15-5-3-6-16(23)19(15)28-21-25-11-9-18(27-21)20(29)24-10-8-13-12-26-17-7-2-1-4-14(13)17/h1-7,9,11-12,26H,8,10H2,(H,24,29)(H,25,27,28).
What are the key properties of 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109309683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).