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

C24H26N6O2 — CID 155135109

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cnc(Nc4cc(C)cc(C)n4)nc3)c2c1
InChIInChI=1S/C24H26N6O2/c1-14-9-15(2)28-22(10-14)30-24-26-12-17(13-27-24)23(31)25-8-7-19-16(3)29-21-6-5-18(32-4)11-20(19)21/h5-6,9-13,29H,7-8H2,1-4H3,(H,25,31)(H,26,27,28,30)
InChIKeyWSNXYXAFYAGWFI-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.00
Rot. Bonds7

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

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155135109) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155135109
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CCNC(=O)c3cnc(Nc4cc(C)cc(C)n4)nc3)c2c1
InChIInChI=1S/C24H26N6O2/c1-14-9-15(2)28-22(10-14)30-24-26-12-17(13-27-24)23(31)25-8-7-19-16(3)29-21-6-5-18(32-4)11-20(19)21/h5-6,9-13,29H,7-8H2,1-4H3,(H,25,31)(H,26,27,28,30)
InChIKeyWSNXYXAFYAGWFI-UHFFFAOYSA-N
XLogP4.00
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 155553139
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-hydroxy-2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 155135104
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 155540476
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
1-(3,5-dimethylphenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 12005981
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155135109) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-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-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is COc1ccc2[nH]c(C)c(CCNC(=O)c3cnc(Nc4cc(C)cc(C)n4)nc3)c2c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is WSNXYXAFYAGWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-9-15(2)28-22(10-14)30-24-26-12-17(13-27-24)23(31)25-8-7-19-16(3)29-21-6-5-18(32-4)11-20(19)21/h5-6,9-13,29H,7-8H2,1-4H3,(H,25,31)(H,26,27,28,30).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 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-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155135109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).