5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide

C20H16ClN5O2 — CID 99807438

IUPAC5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-2-28-19-16(21)10-14(11-23-19)18(27)24-15-6-4-13(5-7-15)17-12-26-9-3-8-22-20(26)25-17/h3-12H,2H2,1H3,(H,24,27)
InChIKeyIRLJVXBJQXHFGU-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide

5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 99807438) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID99807438
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-2-28-19-16(21)10-14(11-23-19)18(27)24-15-6-4-13(5-7-15)17-12-26-9-3-8-22-20(26)25-17/h3-12H,2H2,1H3,(H,24,27)
InChIKeyIRLJVXBJQXHFGU-UHFFFAOYSA-N
XLogP4.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55833726
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
N-[2-chloro-5-[(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55826534
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
CID 122285607
tert-butyl N-[4-[2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-oxoethyl]phenyl]carbamate
CID 78893994
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
2-benzyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55833853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide (CID 99807438) is 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide is CCOc1ncc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is IRLJVXBJQXHFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-2-28-19-16(21)10-14(11-23-19)18(27)24-15-6-4-13(5-7-15)17-12-26-9-3-8-22-20(26)25-17/h3-12H,2H2,1H3,(H,24,27).
What are the key properties of 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide?
5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 99807438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).