2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide

C21H20N6O3 — CID 44828493

IUPAC2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C)n3c(Nc3ncccc3C(N)=O)n2)cc1OC
InChIInChI=1S/C21H20N6O3/c1-12-11-24-18-10-15(13-6-7-16(29-2)17(9-13)30-3)25-21(27(12)18)26-20-14(19(22)28)5-4-8-23-20/h4-11H,1-3H3,(H2,22,28)(H,23,25,26)
InChIKeyINTRBKZBDWMHHQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.96
Rot. Bonds6

About 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide

2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide (PubChem CID 44828493) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
PubChem CID44828493
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ncc(C)n3c(Nc3ncccc3C(N)=O)n2)cc1OC
InChIInChI=1S/C21H20N6O3/c1-12-11-24-18-10-15(13-6-7-16(29-2)17(9-13)30-3)25-21(27(12)18)26-20-14(19(22)28)5-4-8-23-20/h4-11H,1-3H3,(H2,22,28)(H,23,25,26)
InChIKeyINTRBKZBDWMHHQ-UHFFFAOYSA-N
XLogP2.96
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide (CID 44828493) is 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide is COc1ccc(-c2cc3ncc(C)n3c(Nc3ncccc3C(N)=O)n2)cc1OC.
What is the InChIKey of 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide?
The InChIKey is INTRBKZBDWMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-12-11-24-18-10-15(13-6-7-16(29-2)17(9-13)30-3)25-21(27(12)18)26-20-14(19(22)28)5-4-8-23-20/h4-11H,1-3H3,(H2,22,28)(H,23,25,26).
What are the key properties of 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide?
2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3,4-dimethoxyphenyl)-3-methylimidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 44828493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).