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

C23H22N6O2 — CID 155135105

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCC(=O)c3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H22N6O2/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/h4-11,28H,12H2,1-3H3,(H,24,31)(H,25,26,27,29)
InChIKeyCCFXOWYKVYVBOO-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.63
Rot. Bonds6

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

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide (PubChem CID 155135105) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide
PubChem CID155135105
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCC(=O)c3c(C)[nH]c4ccccc34)cn2)c1
InChIInChI=1S/C23H22N6O2/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/h4-11,28H,12H2,1-3H3,(H,24,31)(H,25,26,27,29)
InChIKeyCCFXOWYKVYVBOO-UHFFFAOYSA-N
XLogP3.63
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide (CID 155135105) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]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-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide?
The InChIKey is CCFXOWYKVYVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/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/h4-11,28H,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-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide?
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.63, 6 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-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155135105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).