2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide

C22H20FN5O — CID 109331647

IUPAC2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2c[nH]c3ccccc23)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5O/c1-14-12-20(28-22(26-14)27-17-8-6-16(23)7-9-17)21(29)24-11-10-15-13-25-19-5-3-2-4-18(15)19/h2-9,12-13,25H,10-11H2,1H3,(H,24,29)(H,26,27,28)
InChIKeyYATXHADVKVAUDB-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331647) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109331647
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2c[nH]c3ccccc23)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FN5O/c1-14-12-20(28-22(26-14)27-17-8-6-16(23)7-9-17)21(29)24-11-10-15-13-25-19-5-3-2-4-18(15)19/h2-9,12-13,25H,10-11H2,1H3,(H,24,29)(H,26,27,28)
InChIKeyYATXHADVKVAUDB-UHFFFAOYSA-N
XLogP4.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109331592
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321035
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109330976
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330771
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
2-(1,3-benzodioxol-5-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330787

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109331647) is 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is YATXHADVKVAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-12-20(28-22(26-14)27-17-8-6-16(23)7-9-17)21(29)24-11-10-15-13-25-19-5-3-2-4-18(15)19/h2-9,12-13,25H,10-11H2,1H3,(H,24,29)(H,26,27,28).
What are the key properties of 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).