N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

C21H18FN5O — CID 109352226

IUPACN-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H18FN5O/c22-15-4-3-5-16(10-15)27-21(28)19-11-20(26-13-25-19)23-9-8-14-12-24-18-7-2-1-6-17(14)18/h1-7,10-13,24H,8-9H2,(H,27,28)(H,23,25,26)
InChIKeyXRCKVEWDSMKLLJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.00
Rot. Bonds6

About N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109352226) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109352226
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC NameN-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H18FN5O/c22-15-4-3-5-16(10-15)27-21(28)19-11-20(26-13-25-19)23-9-8-14-12-24-18-7-2-1-6-17(14)18/h1-7,10-13,24H,8-9H2,(H,27,28)(H,23,25,26)
InChIKeyXRCKVEWDSMKLLJ-UHFFFAOYSA-N
XLogP4.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 166596732
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
2-N-(3-fluorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896748
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (CID 109352226) is N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is XRCKVEWDSMKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-15-4-3-5-16(10-15)27-21(28)19-11-20(26-13-25-19)23-9-8-14-12-24-18-7-2-1-6-17(14)18/h1-7,10-13,24H,8-9H2,(H,27,28)(H,23,25,26).
What are the key properties of N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).