2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C23H24N6O2 — CID 155135104

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCC(O)c3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H24N6O2/c1-13-8-14(2)27-20(9-13)29-23-25-10-16(11-26-23)22(31)24-12-19(30)21-15(3)28-18-7-5-4-6-17(18)21/h4-11,19,28,30H,12H2,1-3H3,(H,24,31)(H,25,26,27,29)
InChIKeyIQAKEDRKPFACKJ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.49
Rot. Bonds6

About 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155135104) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155135104
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCC(O)c3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H24N6O2/c1-13-8-14(2)27-20(9-13)29-23-25-10-16(11-26-23)22(31)24-12-19(30)21-15(3)28-18-7-5-4-6-17(18)21/h4-11,19,28,30H,12H2,1-3H3,(H,24,31)(H,25,26,27,29)
InChIKeyIQAKEDRKPFACKJ-UHFFFAOYSA-N
XLogP3.49
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 155553139
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride
CID 155515939
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155135109
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155135104) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1cc(C)nc(Nc2ncc(C(=O)NCC(O)c3c(C)[nH]c4ccccc34)cn2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is IQAKEDRKPFACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-13-8-14(2)27-20(9-13)29-23-25-10-16(11-26-23)22(31)24-12-19(30)21-15(3)28-18-7-5-4-6-17(18)21/h4-11,19,28,30H,12H2,1-3H3,(H,24,31)(H,25,26,27,29).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).