N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

C22H23N5O2 — CID 165004762

IUPACN-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cccc(Nc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C22H23N5O2/c1-15-4-2-5-16(12-15)26-20-13-21(25-14-24-20)27-10-8-17-18(6-3-7-19(17)27)22(29)23-9-11-28/h2-7,12-14,28H,8-11H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyIUFCMXAECOJWGF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.94
Rot. Bonds6

About N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide

N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 165004762) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID165004762
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cccc(Nc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C22H23N5O2/c1-15-4-2-5-16(12-15)26-20-13-21(25-14-24-20)27-10-8-17-18(6-3-7-19(17)27)22(29)23-9-11-28/h2-7,12-14,28H,8-11H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyIUFCMXAECOJWGF-UHFFFAOYSA-N
XLogP2.94
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162659193
N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162663893
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109353678
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056
1-[1-[6-(3-methylphenyl)sulfanylpyrimidin-4-yl]-2,3-dihydroindol-4-yl]pentan-1-one
CID 164964615
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109351367
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
CID 165083045
6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 70344036
3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide
CID 50783692
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 165004762) is N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is Cc1cccc(Nc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is IUFCMXAECOJWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-4-2-5-16(12-15)26-20-13-21(25-14-24-20)27-10-8-17-18(6-3-7-19(17)27)22(29)23-9-11-28/h2-7,12-14,28H,8-11H2,1H3,(H,23,29)(H,24,25,26).
What are the key properties of N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 165004762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).